B33

N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE

Created:	2006-01-03
Last modified:	2020-06-05

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1 entries where B33 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE
Synonyms	BE3
Systematic Name (OpenEye OEToolkits)	N'-(3-ethylaminopropyl)-N-propyl-propane-1,3-diamine
Formula	C₁₁ H₂₇ N₃
Molecular Weight	201.352
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N(CCC)CCCNCCCNCC
SMILES	CACTVS	3.341	CCCNCCCNCCCNCC
SMILES	OpenEye OEToolkits	1.5.0	CCCNCCCNCCCNCC
Canonical SMILES	CACTVS	3.341	CCCNCCCNCCCNCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCNCCCNCCCNCC
InChI	InChI	1.03	InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3
InChIKey	InChI	1.03	ZFYULDAPZWEGGQ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB04633
Name	N-ethyl-N-[3-(propylamino)propyl]propane-1,3-diamine
Groups	experimental
Synonyms	N-ethyl-N-[3-(propylamino)propyl]propane-1,3-diamine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Diamine acetyltransferase 1	MAKFVIRPATAADCSDILRLIKELAKYEYMEEQVILTEKDLLEDGFGEHP...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682