N,1-dimethylpyrrolidin-3-amine

• ChemBase ID: 64047
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: C1(NC)CCN(C)C1
• Canonical SMILES: CNC1CCN(C1)C
• InChI: InChI=1S/C6H14N2/c1-7-6-3-4-8(2)5-6/h6-7H,3-5H2,1-2H3
• InChIKey: CZGIEJXGCLWRPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethylpyrrolidin-3-amine
• IUPAC Traditional name: N,1-dimethylpyrrolidin-3-amine
• Synonyms: N,1-Dimethylpyrrolidin-3-amine

Database IDs

• CAS Number: 13005-11-3
• MDL Number: MFCD00059061
• PubChem SID: 162029786
• PubChem CID: 2758520

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.644588
• LogD (pH = 7.4): -2.8522115
• Log P: -0.22603208
• Molar Refractivity: 35.2791 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%