[1-(3-methylbutyl)piperidin-4-yl]methanamine

• ChemBase ID: 235650
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(CCC(C)C)CCC(CC1)CN
• Canonical SMILES: NCC1CCN(CC1)CCC(C)C
• InChI: InChI=1S/C11H24N2/c1-10(2)3-6-13-7-4-11(9-12)5-8-13/h10-11H,3-9,12H2,1-2H3
• InChIKey: MYCYINJSLUPNIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-methylbutyl)piperidin-4-yl]methanamine
• IUPAC Traditional name: [1-(3-methylbutyl)piperidin-4-yl]methanamine
• Synonyms: [1-(3-methylbutyl)piperidin-4-yl]methanamine

Database IDs

• MDL Number: MFCD10003422
• PubChem SID: 164291560
• PubChem CID: 24274890

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.988447
• LogD (pH = 7.4): -3.5653625
• Log P: 1.4728662
• Molar Refractivity: 58.6101 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.999

Product Information

• Purity: 95%