3-methylpentan-1-amine

• ChemBase ID: 144140
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: CCC(C)CCN
• Canonical SMILES: NCCC(CC)C
• InChI: InChI=1S/C6H15N/c1-3-6(2)4-5-7/h6H,3-5,7H2,1-2H3
• InChIKey: JLAUIBFZZUVOBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpentan-1-amine
• IUPAC Traditional name: sec-butyl ethylamine; 3-methylpentan-1-amine
• Synonyms: (3-Methylpentyl)amine; (3-methylpentyl)amine

Database IDs

• CAS Number: 42245-37-4
• MDL Number: MFCD08059958
• PubChem SID: 162238357
• PubChem CID: 3055957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5937951
• LogD (pH = 7.4): -1.1692334
• Log P: 1.430028
• Molar Refractivity: 32.942 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H15N

DETAILS

Sigma Aldrich - CBR00385

Other Notes
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Legal Information
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