4-[(dimethylamino)methyl]cyclohexan-1-amine

• ChemBase ID: 237009
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N(CC1CCC(N)CC1)(C)C
• Canonical SMILES: NC1CCC(CC1)CN(C)C
• InChI: InChI=1S/C9H20N2/c1-11(2)7-8-3-5-9(10)6-4-8/h8-9H,3-7,10H2,1-2H3
• InChIKey: JDYWFZJIINVRGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dimethylamino)methyl]cyclohexan-1-amine
• IUPAC Traditional name: 4-[(dimethylamino)methyl]cyclohexan-1-amine
• Synonyms: 4-[(dimethylamino)methyl]cyclohexan-1-amine

Database IDs

• MDL Number: MFCD12163982
• PubChem SID: 164292919
• PubChem CID: 53950340

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6760254
• LogD (pH = 7.4): -4.4725966
• Log P: 0.8108524
• Molar Refractivity: 49.0601 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.681

Product Information

• Purity: 95%