1-(cyclohexylmethyl)-N-(cyclopropylmethyl)piperidin-3-amine

• ChemBase ID: 490437
• Molecular Formular: C16H30N2
• Molecular Mass: 250.4228
• Monoisotopic Mass: 250.24089897
• SMILES: N1(CC2CCCCC2)CC(NCC2CC2)CCC1
• Canonical SMILES: C1CCC(CC1)CN1CCCC(C1)NCC1CC1
• InChI: InChI=1S/C16H30N2/c1-2-5-15(6-3-1)12-18-10-4-7-16(13-18)17-11-14-8-9-14/h14-17H,1-13H2
• InChIKey: RAJCJEZPONMBKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-(cyclopropylmethyl)piperidin-3-amine
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-(cyclopropylmethyl)piperidin-3-amine
• Synonyms: 1-(cyclohexylmethyl)-N-(cyclopropylmethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0286171
• LogD (pH = 7.4): 0.0073166834
• Log P: 3.186191
• Molar Refractivity: 77.6107 cm^3
• Polarizability: 31.102972 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.16
• LOG S: -2.21
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5