3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane

C25H34N2O2 — CID 102242056

IUPAC3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCOCCN1CC2(c3ccccc3)CN(CCOC)CC(c3ccccc3)(C1)C2
InChIInChI=1S/C25H34N2O2/c1-28-15-13-26-18-24(22-9-5-3-6-10-22)17-25(19-26,23-11-7-4-8-12-23)21-27(20-24)14-16-29-2/h3-12H,13-21H2,1-2H3
InChIKeyFNGPYTJQQXJMJX-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.18
Rot. Bonds8

About 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane

3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 102242056) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID102242056
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCOCCN1CC2(c3ccccc3)CN(CCOC)CC(c3ccccc3)(C1)C2
InChIInChI=1S/C25H34N2O2/c1-28-15-13-26-18-24(22-9-5-3-6-10-22)17-25(19-26,23-11-7-4-8-12-23)21-27(20-24)14-16-29-2/h3-12H,13-21H2,1-2H3
InChIKeyFNGPYTJQQXJMJX-UHFFFAOYSA-N
XLogP3.18
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane (CID 102242056) is 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane is COCCN1CC2(c3ccccc3)CN(CCOC)CC(c3ccccc3)(C1)C2.
What is the InChIKey of 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is FNGPYTJQQXJMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-28-15-13-26-18-24(22-9-5-3-6-10-22)17-25(19-26,23-11-7-4-8-12-23)21-27(20-24)14-16-29-2/h3-12H,13-21H2,1-2H3.
What are the key properties of 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane?
3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 394.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 102242056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).