(1-butylpiperidin-2-yl)methanamine

• ChemBase ID: 266247
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(C(CN)CCCC1)CCCC
• Canonical SMILES: CCCCN1CCCCC1CN
• InChI: InChI=1S/C10H22N2/c1-2-3-7-12-8-5-4-6-10(12)9-11/h10H,2-9,11H2,1H3
• InChIKey: RNIKYSSEZFTHHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-butylpiperidin-2-yl)methanamine
• IUPAC Traditional name: (1-butylpiperidin-2-yl)methanamine
• Synonyms: (1-butylpiperidin-2-yl)methanamine

Database IDs

• MDL Number: MFCD11131551
• PubChem SID: 164322157
• PubChem CID: 43187042

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2907517
• LogD (pH = 7.4): -1.1443866
• Log P: 1.6272179
• Molar Refractivity: 53.6237 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.46

Product Information

• Purity: 95%