1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide

• ChemBase ID: 274538
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(C1(CN)CCCC1)N(C)C
• Canonical SMILES: NCC1(CCCC1)C(=O)N(C)C
• InChI: InChI=1S/C9H18N2O/c1-11(2)8(12)9(7-10)5-3-4-6-9/h3-7,10H2,1-2H3
• InChIKey: VOTLEMUHQYHGQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
• IUPAC Traditional name: 1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
• Synonyms: 1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide

Database IDs

• MDL Number: MFCD16118419
• PubChem SID: 164330448
• PubChem CID: 54593229

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6872497
• LogD (pH = 7.4): -1.4927856
• Log P: 0.2543587
• Molar Refractivity: 48.7937 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.532

Product Information

• Purity: 95%