N,N-dimethyl-4-[(5r,7r)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl]aniline

• ChemBase ID: 187955
• Molecular Formular: C18H27N3
• Molecular Mass: 285.42708
• Monoisotopic Mass: 285.22049788
• SMILES: N12C(N3C[C@](C1)(C[C@@](C3)(C2)C)C)c1ccc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cc1)C1N2C[C@]3(CN1C[C@@](C2)(C3)C)C)C
• InChI: InChI=1S/C18H27N3/c1-17-9-18(2)12-20(10-17)16(21(11-17)13-18)14-5-7-15(8-6-14)19(3)4/h5-8,16H,9-13H2,1-4H3/t16?,17-,18+
• InChIKey: AJLSNOAXXISZGO-AYHJJNSGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[(5r,7r)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-2-yl]aniline
• IUPAC Traditional name: N,N-dimethyl-4-[(1r,5R,7S)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-2-yl]aniline

Database IDs

• PubChem SID: 164243865
• PubChem CID: 728680

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9255465
• LogD (pH = 7.4): 3.0968769
• Log P: 3.1791344
• Molar Refractivity: 88.6942 cm^3
• Polarizability: 34.463024 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds