dicyclopropylmethanamine

• ChemBase ID: 263742
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C1(CC1)C(C1CC1)N
• Canonical SMILES: NC(C1CC1)C1CC1
• InChI: InChI=1S/C7H13N/c8-7(5-1-2-5)6-3-4-6/h5-7H,1-4,8H2
• InChIKey: GDGUATCKWWKTLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclopropylmethanamine
• IUPAC Traditional name: dicyclopropylmethanamine
• Synonyms: dicyclopropylmethanamine; (dicyclopropylmethyl)amine

Database IDs

• CAS Number: 13375-29-6
• MDL Number: MFCD06804453
• PubChem SID: 164319652
• PubChem CID: 83390

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0334065
• LogD (pH = 7.4): -1.7871872
• Log P: 0.9954628
• Molar Refractivity: 33.473 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.062

Product Information

• Purity: 95%