4-(aminomethyl)-1-ethyl-N,N-dimethylpiperidin-4-amine

• ChemBase ID: 33565
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: C1(CCN(CC1)CC)(N(C)C)CN
• Canonical SMILES: CCN1CCC(CC1)(CN)N(C)C
• InChI: InChI=1S/C10H23N3/c1-4-13-7-5-10(9-11,6-8-13)12(2)3/h4-9,11H2,1-3H3
• InChIKey: IEMSHOQNZVVJSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-1-ethyl-N,N-dimethylpiperidin-4-amine
• IUPAC Traditional name: 4-(aminomethyl)-1-ethyl-N,N-dimethylpiperidin-4-amine
• Synonyms: 4-(Aminomethyl)-1-ethyl-N,N-dimethylpiperidin-4-amine; 4-(aminomethyl)-1-ethyl-N,N-dimethyl-4-piperidinamine

Database IDs

• CAS Number: 891656-66-9
• MDL Number: MFCD05201780
• PubChem SID: 160996872
• PubChem CID: 9161436

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.677219
• LogD (pH = 7.4): -4.518053
• Log P: -0.29943156
• Molar Refractivity: 58.0272 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false