(1R,6R*)-6-(aminomethyl)cyclohex-3-en-1-amine

• ChemBase ID: 810457
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N[C@@H]1CC=CC[C@H]1CN
• Canonical SMILES: NC[C@@H]1CC=CC[C@H]1N
• InChI: InChI=1S/C7H14N2/c8-5-6-3-1-2-4-7(6)9/h1-2,6-7H,3-5,8-9H2/t6-,7+/m0/s1
• InChIKey: JDSRZTSRTLZLQW-NKWVEPMBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,6R*)-6-(aminomethyl)cyclohex-3-en-1-amine
• IUPAC Traditional name: (1R,6R*)-6-(aminomethyl)cyclohex-3-en-1-amine
• Synonyms: TRANS-6-AMINOMETHYL-CYCLOHEX-3-ENYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.2073617
• LogD (pH = 7.4): -4.5576873
• Log P: -0.32514086
• Molar Refractivity: 40.0086 cm^3
• Polarizability: 15.7311125 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%