(1-propylcyclobutyl)methanamine

• ChemBase ID: 307990
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1(CN)(CCC1)CCC
• Canonical SMILES: CCCC1(CN)CCC1
• InChI: InChI=1S/C8H17N/c1-2-4-8(7-9)5-3-6-8/h2-7,9H2,1H3
• InChIKey: OGRSNFHWCCXCGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-propylcyclobutyl)methanamine
• IUPAC Traditional name: (1-propylcyclobutyl)methanamine
• Synonyms: 1-(1-propylcyclobutyl)methanamine

Database IDs

• CAS Number: 959239-92-0
• MDL Number: MFCD09864491

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1482378
• LogD (pH = 7.4): -0.5266724
• Log P: 1.8668252
• Molar Refractivity: 40.0619 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2