1-(2-methylpropyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 144060
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: CC(C)CC1(CC1)N.Cl
• Canonical SMILES: CC(CC1(N)CC1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)5-7(8)3-4-7;/h6H,3-5,8H2,1-2H3;1H
• InChIKey: WBKPDQBTABGVRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2-methylpropyl)cyclopropan-1-amine hydrochloride
• Synonyms: (1-Isobutylcyclopropyl)amine hydrochloride

Database IDs

• MDL Number: MFCD13186239
• PubChem SID: 162238277
• PubChem CID: 53398886

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.650791
• LogD (pH = 7.4): -1.2802614
• Log P: 1.3747925
• Molar Refractivity: 35.4418 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H16ClN

DETAILS

Sigma Aldrich - CBR00866

Other Notes
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Legal Information
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