(1-cyclohexylpiperidin-3-yl)methanamine

• ChemBase ID: 15756
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(CC(CCC1)CN)C1CCCCC1
• Canonical SMILES: NCC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C12H24N2/c13-9-11-5-4-8-14(10-11)12-6-2-1-3-7-12/h11-12H,1-10,13H2
• InChIKey: FNSJEOPMBGXGSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclohexylpiperidin-3-yl)methanamine
• IUPAC Traditional name: (1-cyclohexylpiperidin-3-yl)methanamine
• Synonyms: [(1-Cyclohexylpiperidin-3-yl)methyl]amine; 1-(1-cyclohexyl-3-piperidinyl)methanamine

Database IDs

• CAS Number: 883533-78-6
• MDL Number: MFCD06800482
• PubChem SID: 160979063
• PubChem CID: 23004736

CALCULATED PROPERTIES

• Log P: 1.7027752
• Molar Refractivity: 61.1033 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3603616
• LogD (pH = 7.4): -2.4964294

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false