[3-(cyclohexylamino)propyl](methyl)amine

• ChemBase ID: 24458
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N(C1CCCCC1)CCCNC
• Canonical SMILES: CNCCCNC1CCCCC1
• InChI: InChI=1S/C10H22N2/c1-11-8-5-9-12-10-6-3-2-4-7-10/h10-12H,2-9H2,1H3
• InChIKey: ZVWQHCRUSNYNIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(cyclohexylamino)propyl](methyl)amine
• IUPAC Traditional name: [3-(cyclohexylamino)propyl](methyl)amine
• Synonyms: N1-Cyclohexyl-N3-methyl-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687345
• PubChem SID: 160987765
• PubChem CID: 56135

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.869052
• LogD (pH = 7.4): -3.1229286
• Log P: 1.3019484
• Molar Refractivity: 53.2974 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false