3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane

C7H14N2O2 — CID 14967081

IUPAC3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
SMILESC1CN2COCCN(CO1)C2
InChIInChI=1S/C7H14N2O2/c1-3-10-7-9-2-4-11-6-8(1)5-9/h1-7H2
InChIKeyAZNFWBOWWNJHHG-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.48
Rot. Bonds

About 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane

3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane (PubChem CID 14967081) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane.

Molecular Properties

Compound Name3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
PubChem CID14967081
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
SMILESC1CN2COCCN(CO1)C2
InChIInChI=1S/C7H14N2O2/c1-3-10-7-9-2-4-11-6-8(1)5-9/h1-7H2
InChIKeyAZNFWBOWWNJHHG-UHFFFAOYSA-N
XLogP-0.48
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane
CID 58981463
potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride
CID 23689698
3-ethenyl-1,3-oxazolidine
CID 22486534
4-oxa-1-azabicyclo[4.2.2]decane
CID 118209761
3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane
CID 6454623
4,13-dimethyl-7,10,19,24-tetraoxa-1,4,13,16-tetrazabicyclo[14.5.5]hexacosane
CID 174301861
3-(2-iodoethyl)-1,3-oxazolidine
CID 130271140
1,3-oxazolidine-3-carbothioamide
CID 57154446
3-methoxy-1,3-oxazinane
CID 146666931
diamino(dimorpholin-4-yl)phosphanium
CID 23415033
methane;bis(1-methylazepane);3-methyl-1,3-oxazinane;1-methylpiperidine;1-methylpyrrolidine
CID 161047976
zinc bis(1,3-oxazolidine-3-carbodithioate)
CID 21453977

Frequently Asked Questions

What is the IUPAC name of 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
The IUPAC name of 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane (CID 14967081) is 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane.
What is the SMILES notation for 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
The canonical SMILES for 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane is C1CN2COCCN(CO1)C2.
What is the InChIKey of 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
The InChIKey is AZNFWBOWWNJHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-10-7-9-2-4-11-6-8(1)5-9/h1-7H2.
What are the key properties of 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane has a molecular weight of 158.20 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane is sourced from PubChem (CID 14967081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).