1-propylpyrrolidin-3-amine

• ChemBase ID: 309750
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(CC1)N)CCC
• Canonical SMILES: CCCN1CCC(C1)N
• InChI: InChI=1S/C7H16N2/c1-2-4-9-5-3-7(8)6-9/h7H,2-6,8H2,1H3
• InChIKey: QQBSLNKWDXZLKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylpyrrolidin-3-amine
• IUPAC Traditional name: 1-propylpyrrolidin-3-amine
• Synonyms: 1-propyl-3-pyrrolidinamine

Database IDs

• MDL Number: MFCD11640886

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8127074
• LogD (pH = 7.4): -2.6430733
• Log P: 0.22071788
• Molar Refractivity: 39.7771 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2