(1R,2R)-2-(aminomethyl)cyclohexan-1-amine

• ChemBase ID: 277075
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: [C@H]1([C@H](N)CCCC1)CN
• Canonical SMILES: NC[C@H]1CCCC[C@H]1N
• InChI: InChI=1S/C7H16N2/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-5,8-9H2/t6-,7-/m1/s1
• InChIKey: ZUYYQGFCSKJGDO-RNFRBKRXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-(aminomethyl)cyclohexan-1-amine
• IUPAC Traditional name: (1R,2R)-2-(aminomethyl)cyclohexan-1-amine
• Synonyms: cis-2-(aminomethyl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD06799043
• PubChem SID: 164332985
• PubChem CID: 2725099

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.85378
• LogD (pH = 7.4): -4.2328987
• Log P: 0.036780808
• Molar Refractivity: 38.892 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%