N-(2-aminopropyl)-N,1-dimethylpiperidin-4-amine

• ChemBase ID: 258312
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N(C1CCN(CC1)C)(CC(N)C)C
• Canonical SMILES: CC(CN(C1CCN(CC1)C)C)N
• InChI: InChI=1S/C10H23N3/c1-9(11)8-13(3)10-4-6-12(2)7-5-10/h9-10H,4-8,11H2,1-3H3
• InChIKey: WXVBURNVHIQGNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminopropyl)-N,1-dimethylpiperidin-4-amine
• IUPAC Traditional name: N-(2-aminopropyl)-N,1-dimethylpiperidin-4-amine
• Synonyms: N-(2-aminopropyl)-N-methyl-N-(1-methylpiperidin-4-yl)amine

Database IDs

• MDL Number: MFCD09741101
• PubChem SID: 164314222
• PubChem CID: 16794270

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.3956604
• LogD (pH = 7.4): -4.097269
• Log P: -0.1634332
• Molar Refractivity: 57.8078 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.126

Product Information

• Purity: 95%