(1-cyclopropylethyl)(methyl)amine

• ChemBase ID: 57237
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1C(C1)C(C)NC
• Canonical SMILES: CNC(C1CC1)C
• InChI: InChI=1S/C6H13N/c1-5(7-2)6-3-4-6/h5-7H,3-4H2,1-2H3
• InChIKey: CBWBPZZRBSZHEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropylethyl)(methyl)amine
• IUPAC Traditional name: (1-cyclopropylethyl)(methyl)amine
• Synonyms: N-(1-cyclopropylethyl)-N-methylamine; (1-Cyclopropylethyl)methylamine

Database IDs

• MDL Number: MFCD09044615
• PubChem SID: 162062000
• PubChem CID: 16772299

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2326193
• LogD (pH = 7.4): -1.9492669
• Log P: 1.0042738
• Molar Refractivity: 31.0542 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.764

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%