N-(3-methylbutyl)cyclopropanamine

• ChemBase ID: 308395
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1(CC1)NCCC(C)C
• Canonical SMILES: CC(CCNC1CC1)C
• InChI: InChI=1S/C8H17N/c1-7(2)5-6-9-8-3-4-8/h7-9H,3-6H2,1-2H3
• InChIKey: DFCGUBWPNVTPFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylbutyl)cyclopropanamine
• IUPAC Traditional name: N-(3-methylbutyl)cyclopropanamine
• Synonyms: N-(3-methylbutyl)cyclopropanamine

Database IDs

• CAS Number: 914260-76-7
• MDL Number: MFCD09043910

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3461937
• LogD (pH = 7.4): -0.84458977
• Log P: 1.8836042
• Molar Refractivity: 40.3268 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2