1-cyclopropylpropan-1-amine

• ChemBase ID: 71820
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1(CC1)C(N)CC
• Canonical SMILES: CCC(C1CC1)N
• InChI: InChI=1S/C6H13N/c1-2-6(7)5-3-4-5/h5-6H,2-4,7H2,1H3
• InChIKey: OXXSMQHKMPTBAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylpropan-1-amine
• IUPAC Traditional name: 1-cyclopropylpropan-1-amine
• Synonyms: (1-Cyclopropylpropyl)amine

Database IDs

• CAS Number: 219736-10-4
• MDL Number: MFCD05191939
• PubChem SID: 162037186
• PubChem CID: 3985879

CALCULATED PROPERTIES

• Log P: 1.0942159
• Molar Refractivity: 30.8036 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9342538
• LogD (pH = 7.4): -1.6708046

PROPERTIES

Safety Information

• Storage Warning: IRRITANT