3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane

C11H22N2 — CID 166949156

IUPAC3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane
SMILESCCN1CC2CC(C)C(C1)N(C)C2
InChIInChI=1S/C11H22N2/c1-4-13-7-10-5-9(2)11(8-13)12(3)6-10/h9-11H,4-8H2,1-3H3
InChIKeyHMWQDSVMGBXVHH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.28
Rot. Bonds1

About 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane

3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 166949156) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane
PubChem CID166949156
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane
SMILESCCN1CC2CC(C)C(C1)N(C)C2
InChIInChI=1S/C11H22N2/c1-4-13-7-10-5-9(2)11(8-13)12(3)6-10/h9-11H,4-8H2,1-3H3
InChIKeyHMWQDSVMGBXVHH-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane (CID 166949156) is 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane is CCN1CC2CC(C)C(C1)N(C)C2.
What is the InChIKey of 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is HMWQDSVMGBXVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-13-7-10-5-9(2)11(8-13)12(3)6-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane?
3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 182.31 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 166949156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).