2-amino-N-(cyclopropylmethyl)-4-methyl-N-propylpentanamide hydrochloride

• ChemBase ID: 243631
• Molecular Formular: C13H27ClN2O
• Molecular Mass: 262.81928
• Monoisotopic Mass: 262.18119117
• SMILES: C(=O)(N(CC1CC1)CCC)C(CC(C)C)N.Cl
• Canonical SMILES: CCCN(C(=O)C(CC(C)C)N)CC1CC1.Cl
• InChI: InChI=1S/C13H26N2O.ClH/c1-4-7-15(9-11-5-6-11)13(16)12(14)8-10(2)3;/h10-12H,4-9,14H2,1-3H3;1H
• InChIKey: RJNFHFSMEOYDDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(cyclopropylmethyl)-4-methyl-N-propylpentanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(cyclopropylmethyl)-4-methyl-N-propylpentanamide hydrochloride
• Synonyms: 2-amino-N-(cyclopropylmethyl)-4-methyl-N-propylpentanamide hydrochloride

Database IDs

• MDL Number: MFCD22578719
• PubChem SID: 164299541
• PubChem CID: 71757301

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6996071
• LogD (pH = 7.4): 0.91556257
• Log P: 1.975716
• Molar Refractivity: 67.0011 cm^3
• Polarizability: 26.681845 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.622

Product Information

• Purity: 95%