[3-(1,3-diazinan-1-yl)propyl]dimethylamine

• ChemBase ID: 13376
• Molecular Formular: C9H21N3
• Molecular Mass: 171.28314
• Monoisotopic Mass: 171.17354769
• SMILES: C1CNCN(C1)CCCN(C)C
• Canonical SMILES: CN(CCCN1CCCNC1)C
• InChI: InChI=1S/C9H21N3/c1-11(2)6-4-8-12-7-3-5-10-9-12/h10H,3-9H2,1-2H3
• InChIKey: CWJPMGXDTZDMJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(1,3-diazinan-1-yl)propyl]dimethylamine
• IUPAC Traditional name: [3-(1,3-diazinan-1-yl)propyl]dimethylamine
• Synonyms: Dimethyl-[3-(tetrahydro-pyrimidin-1-yl)-propyl]-amine

Database IDs

• MDL Number: MFCD03724735
• PubChem SID: 160976683
• PubChem CID: 753789

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.9633493
• LogD (pH = 7.4): -3.0755677
• Log P: -0.09709395
• Molar Refractivity: 53.3029 cm^3
• Polarizability: 21.17821 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false