N1,N1-dimethylcyclohexane-1,4-diamine

• ChemBase ID: 799728
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1(CCC(CC1)N)N(C)C
• Canonical SMILES: NC1CCC(CC1)N(C)C
• InChI: InChI=1S/C8H18N2/c1-10(2)8-5-3-7(9)4-6-8/h7-8H,3-6,9H2,1-2H3
• InChIKey: GNGZZWTXFNFCMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1-dimethylcyclohexane-1,4-diamine
• IUPAC Traditional name: N1,N1-dimethylcyclohexane-1,4-diamine
• Synonyms: N1,N1-dimethylcyclohexane-1,4-diamine

Database IDs

• CAS Number: 42389-50-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.006662
• LogD (pH = 7.4): -4.9663877
• Log P: 0.4958397
• Molar Refractivity: 44.3293 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true