(2,2-diethylcyclopropyl)methanamine

• ChemBase ID: 143771
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: CCC1(CC1CN)CC
• Canonical SMILES: NCC1CC1(CC)CC
• InChI: InChI=1S/C8H17N/c1-3-8(4-2)5-7(8)6-9/h7H,3-6,9H2,1-2H3
• InChIKey: ZNEANLRFEOLEAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-diethylcyclopropyl)methanamine
• IUPAC Traditional name: (2,2-diethylcyclopropyl)methanamine
• Synonyms: 1-(2,2-Diethylcyclopropyl)methanamine; 1-(2,2-diethylcyclopropyl)methanamine

Database IDs

• CAS Number: 802822-86-2
• MDL Number: MFCD08691417
• PubChem SID: 162237988
• PubChem CID: 44827664

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3926173
• LogD (pH = 7.4): -0.97141963
• Log P: 1.6313219
• Molar Refractivity: 40.0865 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H17N

DETAILS

Sigma Aldrich - CBR00010

Other Notes
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Legal Information
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