2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane

C35H38N2 — CID 102515555

IUPAC2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane
SMILESC[C@@H](c1ccccc1)N1CC2CC(CN([C@@H](C)c3ccccc3)C2c2ccccc2)C1c1ccccc1
InChIInChI=1S/C35H38N2/c1-26(28-15-7-3-8-16-28)36-24-32-23-33(34(36)30-19-11-5-12-20-30)25-37(27(2)29-17-9-4-10-18-29)35(32)31-21-13-6-14-22-31/h3-22,26-27,32-35H,23-25H2,1-2H3/t26-,27-,32?,33?,34?,35?/m0/s1
InChIKeyGGXSSNCEQOTYBM-NEIAVDNYSA-N
MW486.70 g/mol
LogP8.25
Rot. Bonds6

About 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane

2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 102515555) has the molecular formula C35H38N2 and a molecular weight of 486.70 g/mol. Its IUPAC name is 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane
PubChem CID102515555
Molecular FormulaC35H38N2
Molecular Weight486.70 g/mol
Exact Mass486.30
IUPAC Name2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane
SMILESC[C@@H](c1ccccc1)N1CC2CC(CN([C@@H](C)c3ccccc3)C2c2ccccc2)C1c1ccccc1
InChIInChI=1S/C35H38N2/c1-26(28-15-7-3-8-16-28)36-24-32-23-33(34(36)30-19-11-5-12-20-30)25-37(27(2)29-17-9-4-10-18-29)35(32)31-21-13-6-14-22-31/h3-22,26-27,32-35H,23-25H2,1-2H3/t26-,27-,32?,33?,34?,35?/m0/s1
InChIKeyGGXSSNCEQOTYBM-NEIAVDNYSA-N
XLogP8.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane with MolForge

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Related Compounds

(2S,3S)-2-phenyl-N,1-bis[(1S)-1-phenylethyl]azetidin-3-amine
CID 102508566
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
(1S,4S)-2-methyl-5-[(1R)-1-phenylethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 24787409
(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 134930781
(2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine
CID 101221832
(2R,3R)-2,3-diphenyl-1-propan-2-ylazetidine
CID 100941434
2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol
CID 12025791
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
CID 59989968
(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one
CID 139095598
(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 71269820
(1S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-one
CID 10703897
3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol
CID 174656457

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane (CID 102515555) is 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane is C[C@@H](c1ccccc1)N1CC2CC(CN([C@@H](C)c3ccccc3)C2c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is GGXSSNCEQOTYBM-NEIAVDNYSA-N. The full InChI is InChI=1S/C35H38N2/c1-26(28-15-7-3-8-16-28)36-24-32-23-33(34(36)30-19-11-5-12-20-30)25-37(27(2)29-17-9-4-10-18-29)35(32)31-21-13-6-14-22-31/h3-22,26-27,32-35H,23-25H2,1-2H3/t26-,27-,32?,33?,34?,35?/m0/s1.
What are the key properties of 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane?
2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 486.70 g/mol, XLogP of 8.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 102515555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).