2-cyclopropylpropan-2-amine

• ChemBase ID: 278053
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1(CC1)C(N)(C)C
• Canonical SMILES: CC(C1CC1)(N)C
• InChI: InChI=1S/C6H13N/c1-6(2,7)5-3-4-5/h5H,3-4,7H2,1-2H3
• InChIKey: OOXIEUXBOSSXJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylpropan-2-amine
• IUPAC Traditional name: 2-cyclopropylpropan-2-amine
• Synonyms: (1-cyclopropyl-1-methylethyl)amine; 2-cyclopropylpropan-2-amine

Database IDs

• CAS Number: 172947-13-6
• MDL Number: MFCD11584344
• PubChem SID: 164333963
• PubChem CID: 558546

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1778777
• LogD (pH = 7.4): -1.9920034
• Log P: 0.8522701
• Molar Refractivity: 30.9178 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.017

Product Information

• Purity: 95%