1-(aminomethyl)cyclohexan-1-amine

• ChemBase ID: 258129
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: C1(N)(CN)CCCCC1
• Canonical SMILES: NCC1(N)CCCCC1
• InChI: InChI=1S/C7H16N2/c8-6-7(9)4-2-1-3-5-7/h1-6,8-9H2
• InChIKey: QCDMSCUTQSXHCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)cyclohexan-1-amine
• IUPAC Traditional name: 1-(aminomethyl)cyclohexan-1-amine
• Synonyms: 1-(aminomethyl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD01745586
• PubChem SID: 164314039
• PubChem CID: 21150

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.494425
• LogD (pH = 7.4): -2.4520648
• Log P: 0.30059657
• Molar Refractivity: 38.7724 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0010

Product Information

• Purity: 95%