N-(cyclopropylmethyl)cyclopropanamine

• ChemBase ID: 269787
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C1(CC1)NCC1CC1
• Canonical SMILES: N(C1CC1)CC1CC1
• InChI: InChI=1S/C7H13N/c1-2-6(1)5-8-7-3-4-7/h6-8H,1-5H2
• InChIKey: XYPQMTYUTVPOPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(cyclopropylmethyl)cyclopropanamine
• Synonyms: N-(cyclopropylmethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD11212563
• PubChem SID: 164325697
• PubChem CID: 43163843

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1777766
• LogD (pH = 7.4): -1.7070528
• Log P: 1.0532633
• Molar Refractivity: 33.8466 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.039

Product Information

• Purity: 95%