1-(dimethylamino)cyclopentane-1-carbonitrile

• ChemBase ID: 72178
• Molecular Formular: C8H14N2
• Molecular Mass: 138.21016
• Monoisotopic Mass: 138.11569846
• SMILES: N#CC1(N(C)C)CCCC1
• Canonical SMILES: CN(C1(CCCC1)C#N)C
• InChI: InChI=1S/C8H14N2/c1-10(2)8(7-9)5-3-4-6-8/h3-6H2,1-2H3
• InChIKey: HZWBDLLSZAIPBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylamino)cyclopentane-1-carbonitrile
• IUPAC Traditional name: 1-(dimethylamino)cyclopentane-1-carbonitrile
• Synonyms: 1-(Dimethylamino)cyclopentanecarbonitrile

Database IDs

• CAS Number: 22912-31-8
• PubChem SID: 162104213
• PubChem CID: 10773049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4250765
• LogD (pH = 7.4): 1.2739456
• Log P: 1.3089507
• Molar Refractivity: 41.505 cm^3
• Polarizability: 16.10553 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95+%