[3-(methylamino)propyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 24513
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: n1cc(CNCCCNC)ccc1
• Canonical SMILES: CNCCCNCc1cccnc1
• InChI: InChI=1S/C10H17N3/c1-11-5-3-7-13-9-10-4-2-6-12-8-10/h2,4,6,8,11,13H,3,5,7,9H2,1H3
• InChIKey: WVJCWYJCNRALHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(methylamino)propyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [3-(methylamino)propyl](pyridin-3-ylmethyl)amine
• Synonyms: N1-Methyl-N3-(3-pyridinylmethyl)-1,3-propanediamine

Database IDs

• MDL Number: MFCD07408154
• PubChem SID: 160987820
• PubChem CID: 4720009

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.4315505
• LogD (pH = 7.4): -3.365072
• Log P: 0.009478543
• Molar Refractivity: 54.7389 cm^3
• Polarizability: 21.70964 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false