(cyclopropylmethyl)(propan-2-yl)amine

• ChemBase ID: 307880
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(CC1)CNC(C)C
• Canonical SMILES: CC(NCC1CC1)C
• InChI: InChI=1S/C7H15N/c1-6(2)8-5-7-3-4-7/h6-8H,3-5H2,1-2H3
• InChIKey: GGGLFZBMDMFQQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(propan-2-yl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(isopropyl)amine
• Synonyms: (cyclopropylmethyl)isopropylamine

Database IDs

• CAS Number: 26389-66-2
• MDL Number: MFCD11505281

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8766466
• LogD (pH = 7.4): -1.6283877
• Log P: 1.3610818
• Molar Refractivity: 35.8028 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2