1-cyclohexylprop-2-yn-1-amine

• ChemBase ID: 242994
• Molecular Formular: C9H15N
• Molecular Mass: 137.2221
• Monoisotopic Mass: 137.12044949
• SMILES: C(#C)C(C1CCCCC1)N
• Canonical SMILES: NC(C1CCCCC1)C#C
• InChI: InChI=1S/C9H15N/c1-2-9(10)8-6-4-3-5-7-8/h1,8-9H,3-7,10H2
• InChIKey: XIEIQEFDSYPLQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylprop-2-yn-1-amine
• IUPAC Traditional name: 1-cyclohexylprop-2-yn-1-amine
• Synonyms: 1-cyclohexylprop-2-yn-1-amine

Database IDs

• MDL Number: MFCD21263286
• PubChem SID: 164298904
• PubChem CID: 65573985

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.182165
• LogD (pH = 7.4): -0.062816605
• Log P: 1.7766745
• Molar Refractivity: 42.9142 cm^3
• Polarizability: 17.031796 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.366

Product Information

• Purity: 95%