7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

C14H20N2O — CID 105491534

IUPAC7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESc1ccc(CN2CC3CNC(COC3)C2)cc1
InChIInChI=1S/C14H20N2O/c1-2-4-12(5-3-1)7-16-8-13-6-15-14(9-16)11-17-10-13/h1-5,13-15H,6-11H2
InChIKeyZGLLRKQTUKVPCO-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.11
Rot. Bonds2

About 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane (PubChem CID 105491534) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
PubChem CID105491534
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESc1ccc(CN2CC3CNC(COC3)C2)cc1
InChIInChI=1S/C14H20N2O/c1-2-4-12(5-3-1)7-16-8-13-6-15-14(9-16)11-17-10-13/h1-5,13-15H,6-11H2
InChIKeyZGLLRKQTUKVPCO-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane with MolForge

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

Launch Full Analysis

Related Compounds

3-benzyl-3,6-diazabicyclo[3.2.1]octane
CID 67130828
7-benzyl-3λ6-thia-7,9-diazabicyclo[3.3.2]decane 3,3-dioxide
CID 86812418
(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
7-[(4-fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 53414690
(1R,5R)-7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98126066
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane (CID 105491534) is 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane is c1ccc(CN2CC3CNC(COC3)C2)cc1.
What is the InChIKey of 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The InChIKey is ZGLLRKQTUKVPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-4-12(5-3-1)7-16-8-13-6-15-14(9-16)11-17-10-13/h1-5,13-15H,6-11H2.
What are the key properties of 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane has a molecular weight of 232.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 105491534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).