1-(aminomethyl)-N,N-dimethylcyclopentan-1-amine

• ChemBase ID: 33043
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1(N(C)C)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)N(C)C
• InChI: InChI=1S/C8H18N2/c1-10(2)8(7-9)5-3-4-6-8/h3-7,9H2,1-2H3
• InChIKey: OHQDEEKAUZTSQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)-N,N-dimethylcyclopentan-1-amine
• IUPAC Traditional name: 1-(aminomethyl)-N,N-dimethylcyclopentan-1-amine
• Synonyms: N-[1-(Aminomethyl)cyclopentyl]-N,N-dimethylamine; 1-(aminomethyl)-N,N-dimethylcyclopentanamine

Database IDs

• CAS Number: 164642-21-1
• MDL Number: MFCD09864515
• PubChem SID: 160996350
• PubChem CID: 10844493

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1930063
• LogD (pH = 7.4): -2.0038502
• Log P: 0.67165625
• Molar Refractivity: 44.2407 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false