1-cyclopropylpropan-2-amine

• ChemBase ID: 274117
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1(CC1)CC(N)C
• Canonical SMILES: CC(CC1CC1)N
• InChI: InChI=1S/C6H13N/c1-5(7)4-6-2-3-6/h5-6H,2-4,7H2,1H3
• InChIKey: WFJUBRAHXQCZAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylpropan-2-amine
• IUPAC Traditional name: 1-cyclopropylpropan-2-amine
• Synonyms: 1-cyclopropylpropan-2-amine

Database IDs

• MDL Number: MFCD08453450
• PubChem SID: 164330027
• PubChem CID: 22636390

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0892494
• LogD (pH = 7.4): -1.7889416
• Log P: 0.93830836
• Molar Refractivity: 30.9576 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.147

Product Information

• Purity: 95%