N,1-dimethylpiperidin-3-amine

• ChemBase ID: 267792
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(NC)CCC1)C
• Canonical SMILES: CNC1CCCN(C1)C
• InChI: InChI=1S/C7H16N2/c1-8-7-4-3-5-9(2)6-7/h7-8H,3-6H2,1-2H3
• InChIKey: KGECUXOREWNBGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethylpiperidin-3-amine
• IUPAC Traditional name: N,1-dimethylpiperidin-3-amine
• Synonyms: N,1-dimethylpiperidin-3-amine

Database IDs

• MDL Number: MFCD16496311
• PubChem SID: 164323702
• PubChem CID: 547176

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2314615
• LogD (pH = 7.4): -2.4209328
• Log P: 0.29133058
• Molar Refractivity: 39.9237 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.41

Product Information

• Purity: 95%