1-(propan-2-yl)cyclopropan-1-amine

• ChemBase ID: 308222
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1(CC1)(N)C(C)C
• Canonical SMILES: CC(C1(N)CC1)C
• InChI: InChI=1S/C6H13N/c1-5(2)6(7)3-4-6/h5H,3-4,7H2,1-2H3
• InChIKey: BCEQMDPSJGINGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-isopropylcyclopropan-1-amine
• Synonyms: (1-isopropylcyclopropyl)amine

Database IDs

• CAS Number: 1174526-66-9
• MDL Number: MFCD10686589

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0182838
• LogD (pH = 7.4): -1.6775408
• Log P: 1.0081775
• Molar Refractivity: 30.7638 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2