4-methyl-2-(pyrrolidin-1-yl)pentan-1-amine hydrochloride

• ChemBase ID: 272113
• Molecular Formular: C10H23ClN2
• Molecular Mass: 206.75602
• Monoisotopic Mass: 206.15497643
• SMILES: N1(C(CC(C)C)CN)CCCC1.Cl
• Canonical SMILES: NCC(N1CCCC1)CC(C)C.Cl
• InChI: InChI=1S/C10H22N2.ClH/c1-9(2)7-10(8-11)12-5-3-4-6-12;/h9-10H,3-8,11H2,1-2H3;1H
• InChIKey: UHZYKOMBVUQING-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(pyrrolidin-1-yl)pentan-1-amine hydrochloride
• IUPAC Traditional name: 4-methyl-2-(pyrrolidin-1-yl)pentan-1-amine hydrochloride
• Synonyms: 4-methyl-2-(pyrrolidin-1-yl)pentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18380615
• PubChem SID: 164328023
• PubChem CID: 50988081

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5211782
• LogD (pH = 7.4): -1.4723473
• Log P: 1.4696683
• Molar Refractivity: 53.5713 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.09

Product Information

• Purity: 95%