1-N,1-N-dimethylcyclohexane-1,3-diamine

• ChemBase ID: 234887
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1C(N(C)C)CCCC1N
• Canonical SMILES: NC1CCCC(C1)N(C)C
• InChI: InChI=1S/C8H18N2/c1-10(2)8-5-3-4-7(9)6-8/h7-8H,3-6,9H2,1-2H3
• InChIKey: KKGNWXHXFXNADS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylcyclohexane-1,3-diamine
• IUPAC Traditional name: 1-N,1-N-dimethylcyclohexane-1,3-diamine
• Synonyms: 1-N,1-N-dimethylcyclohexane-1,3-diamine

Database IDs

• MDL Number: MFCD06658433
• PubChem SID: 164290797
• PubChem CID: 53249858

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.7541
• LogD (pH = 7.4): -3.8463125
• Log P: 0.42304567
• Molar Refractivity: 44.2857 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.844

Product Information

• Purity: 95%