3-(aminomethyl)-N,N-dipropylpyridin-2-amine

• ChemBase ID: 48444
• Molecular Formular: C12H21N3
• Molecular Mass: 207.31524
• Monoisotopic Mass: 207.17354769
• SMILES: c1(c(CN)cccn1)N(CCC)CCC
• Canonical SMILES: CCCN(c1ncccc1CN)CCC
• InChI: InChI=1S/C12H21N3/c1-3-8-15(9-4-2)12-11(10-13)6-5-7-14-12/h5-7H,3-4,8-10,13H2,1-2H3
• InChIKey: MMYQJYXBVRUVDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)-N,N-dipropylpyridin-2-amine
• IUPAC Traditional name: 3-(aminomethyl)-N,N-dipropylpyridin-2-amine
• Synonyms: 3-(Aminomethyl)-N,N-dipropyl-2-pyridinamine

Database IDs

• MDL Number: MFCD09740014
• PubChem SID: 162053207
• PubChem CID: 16793200

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5216581
• LogD (pH = 7.4): 0.99467546
• Log P: 2.342504
• Molar Refractivity: 65.6618 cm^3
• Polarizability: 25.001514 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false