N-(cyclopropylmethyl)cyclohexanamine

• ChemBase ID: 24312
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: C1(CC1)CNC1CCCCC1
• Canonical SMILES: C1CCC(CC1)NCC1CC1
• InChI: InChI=1S/C10H19N/c1-2-4-10(5-3-1)11-8-9-6-7-9/h9-11H,1-8H2
• InChIKey: RMFCJWJCNWJMMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)cyclohexanamine
• IUPAC Traditional name: N-(cyclopropylmethyl)cyclohexanamine
• Synonyms: N-(Cyclopropylmethyl)cyclohexanamine

Database IDs

• CAS Number: 99175-40-3
• MDL Number: MFCD03211318
• PubChem SID: 160987619
• PubChem CID: 1531432

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85242856
• LogD (pH = 7.4): -0.6844438
• Log P: 2.3869693
• Molar Refractivity: 47.6496 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.486

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%