1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol

C25H34N2O — CID 1251120

IUPAC1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCC(C)N1CC2(c3ccccc3)CN(C(C)C)CC(c3ccccc3)(C1)C2O
InChIInChI=1S/C25H34N2O/c1-19(2)26-15-24(21-11-7-5-8-12-21)17-27(20(3)4)18-25(16-26,23(24)28)22-13-9-6-10-14-22/h5-14,19-20,23,28H,15-18H2,1-4H3
InChIKeyAXATZOZRCPBFKV-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.67
Rot. Bonds4

About 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol

1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol (PubChem CID 1251120) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol
PubChem CID1251120
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCC(C)N1CC2(c3ccccc3)CN(C(C)C)CC(c3ccccc3)(C1)C2O
InChIInChI=1S/C25H34N2O/c1-19(2)26-15-24(21-11-7-5-8-12-21)17-27(20(3)4)18-25(16-26,23(24)28)22-13-9-6-10-14-22/h5-14,19-20,23,28H,15-18H2,1-4H3
InChIKeyAXATZOZRCPBFKV-UHFFFAOYSA-N
XLogP3.67
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol (CID 1251120) is 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol is CC(C)N1CC2(c3ccccc3)CN(C(C)C)CC(c3ccccc3)(C1)C2O.
What is the InChIKey of 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The InChIKey is AXATZOZRCPBFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-19(2)26-15-24(21-11-7-5-8-12-21)17-27(20(3)4)18-25(16-26,23(24)28)22-13-9-6-10-14-22/h5-14,19-20,23,28H,15-18H2,1-4H3.
What are the key properties of 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol?
1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol has a molecular weight of 378.56 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 1251120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).