LEN
3-METHYLBUTAN-1-AMINE
Created: | 2003-05-27 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 18 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 3-METHYLBUTAN-1-AMINE |
Systematic Name (OpenEye OEToolkits) | 3-methylbutan-1-amine |
Formula | C5 H13 N |
Molecular Weight | 87.163 |
Type | L-PEPTIDE COOH CARBOXY TERMINUS |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NCCC(C)C |
SMILES | CACTVS | 3.370 | CC(C)CCN |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CCN |
Canonical SMILES | CACTVS | 3.370 | CC(C)CCN |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CCN |
InChI | InChI | 1.03 | InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 |
InChIKey | InChI | 1.03 | BMFVGAAISNGQNM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7894 |
ChEMBL | CHEMBL42003 |
ChEBI | CHEBI:43689 |
CCDC/CSD | IGIWUR, SOVWIK, ZECTAF01, WAFKAT01, WAFKAT, AKIWOJ, ZUZNIU, SASDAV, QEBQOH, SALGUL01, CAMCOM |