1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine

• ChemBase ID: 272796
• Molecular Formular: C11H25N3
• Molecular Mass: 199.3363
• Monoisotopic Mass: 199.20484782
• SMILES: N1(C(CN)(C)C)CCC(CC1)N(C)C
• Canonical SMILES: NCC(N1CCC(CC1)N(C)C)(C)C
• InChI: InChI=1S/C11H25N3/c1-11(2,9-12)14-7-5-10(6-8-14)13(3)4/h10H,5-9,12H2,1-4H3
• InChIKey: WLYOASQGGIPUOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine
• IUPAC Traditional name: 1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine
• Synonyms: 1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD12143440
• PubChem SID: 164328706
• PubChem CID: 43585866

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.333945
• LogD (pH = 7.4): -4.503977
• Log P: 0.117143475
• Molar Refractivity: 62.446 cm^3
• Polarizability: 24.87069 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.155

Product Information

• Purity: 95%