N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine

• ChemBase ID: 260469
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N1(CCC(CC1)N(CCNC)C)C
• Canonical SMILES: CNCCN(C1CCN(CC1)C)C
• InChI: InChI=1S/C10H23N3/c1-11-6-9-13(3)10-4-7-12(2)8-5-10/h10-11H,4-9H2,1-3H3
• InChIKey: BJHCSXTYIGIZKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
• IUPAC Traditional name: N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
• Synonyms: N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine

Database IDs

• MDL Number: MFCD11155220
• PubChem SID: 164316379
• PubChem CID: 28598734

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.6447277
• LogD (pH = 7.4): -4.4038963
• Log P: -0.14742783
• Molar Refractivity: 58.1636 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.131

Product Information

• Purity: 95%