N-methyl-N-(2-methylcyclohexyl)piperidin-4-amine

• ChemBase ID: 35023
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N(C1C(C)CCCC1)(C1CCNCC1)C
• Canonical SMILES: CC1CCCCC1N(C1CCNCC1)C
• InChI: InChI=1S/C13H26N2/c1-11-5-3-4-6-13(11)15(2)12-7-9-14-10-8-12/h11-14H,3-10H2,1-2H3
• InChIKey: FIAARWJTQYTEFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
• Synonyms: N-Methyl-N-(2-methylcyclohexyl)piperidin-4-amine

Database IDs

• CAS Number: 1119452-90-2
• MDL Number: MFCD12027204
• PubChem SID: 160998330
• PubChem CID: 25219601

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0648646
• LogD (pH = 7.4): -2.2191107
• Log P: 1.998171
• Molar Refractivity: 65.6303 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false