(1r,4r)-4-methoxycyclohexan-1-amine

• ChemBase ID: 310064
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N[C@@H]1CC[C@H](CC1)OC
• Canonical SMILES: CO[C@@H]1CC[C@H](CC1)N
• InChI: InChI=1S/C7H15NO/c1-9-7-4-2-6(8)3-5-7/h6-7H,2-5,8H2,1H3/t6-,7-
• InChIKey: SDMXLAZIFYYECU-LJGSYFOKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1r,4r)-4-methoxycyclohexan-1-amine
• IUPAC Traditional name: (1r,4r)-4-methoxycyclohexan-1-amine
• Synonyms: (trans-4-methoxycyclohexyl)amine

Database IDs

• CAS Number: 121588-79-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5976646
• LogD (pH = 7.4): -2.3101885
• Log P: 0.43021965
• Molar Refractivity: 37.3537 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2