[(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-ylmethyl][2-(1H-indol-1-yl)ethyl]methylamine

• ChemBase ID: 863200
• Molecular Formular: C17H23N3
• Molecular Mass: 269.38462
• Monoisotopic Mass: 269.18919775
• SMILES: [C@H]1([C@@H]2[C@H]1CNC2)CN(CCn1ccc2c1cccc2)C
• Canonical SMILES: CN(C[C@@H]1[C@@H]2[C@H]1CNC2)CCn1ccc2c1cccc2
• InChI: InChI=1S/C17H23N3/c1-19(12-16-14-10-18-11-15(14)16)8-9-20-7-6-13-4-2-3-5-17(13)20/h2-7,14-16,18H,8-12H2,1H3/t14-,15+,16+
• InChIKey: XGBJNXDFSOWPNS-ZSHCYNCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-ylmethyl][2-(1H-indol-1-yl)ethyl]methylamine
• IUPAC Traditional name: [(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-ylmethyl][2-(indol-1-yl)ethyl]methylamine
• Synonyms: N-[(1R*,5S*,6r*)-3-azabicyclo[3.1.0]hex-6-ylmethyl]-2-(1H-indol-1-yl)-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8926044
• LogD (pH = 7.4): -3.7748191
• Log P: 1.7957698
• Molar Refractivity: 82.9737 cm^3
• Polarizability: 33.713764 Å^3
• Polar Surface Area: 20.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.31
• LOG S: -2.13
• Polar Surface Area: 20.2 Å^2
• Rotatable Bonds: 5