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

• ChemBase ID: 48575
• Molecular Formular: C12H21N3
• Molecular Mass: 207.31524
• Monoisotopic Mass: 207.17354769
• SMILES: n1c(N(CCC)CCC)ccc(c1)CN
• Canonical SMILES: CCCN(c1ccc(cn1)CN)CCC
• InChI: InChI=1S/C12H21N3/c1-3-7-15(8-4-2)12-6-5-11(9-13)10-14-12/h5-6,10H,3-4,7-9,13H2,1-2H3
• InChIKey: XVBDIIWGVPYLSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-N,N-dipropylpyridin-2-amine
• IUPAC Traditional name: 5-(aminomethyl)-N,N-dipropylpyridin-2-amine
• Synonyms: 5-(Aminomethyl)-N,N-dipropyl-2-pyridinamine

Database IDs

• MDL Number: MFCD09044404
• PubChem SID: 162053338
• PubChem CID: 16772096

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6570782
• LogD (pH = 7.4): 0.47820696
• Log P: 2.342504
• Molar Refractivity: 65.6618 cm^3
• Polarizability: 25.001291 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