2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane

C11H22N2 — CID 45099849

IUPAC2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane
SMILESCCC1C2CCCC(CN1C)N2C
InChIInChI=1S/C11H22N2/c1-4-10-11-7-5-6-9(13(11)3)8-12(10)2/h9-11H,4-8H2,1-3H3
InChIKeyJQDHPKQTPPDFEC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds1

About 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane

2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane (PubChem CID 45099849) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane
PubChem CID45099849
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane
SMILESCCC1C2CCCC(CN1C)N2C
InChIInChI=1S/C11H22N2/c1-4-10-11-7-5-6-9(13(11)3)8-12(10)2/h9-11H,4-8H2,1-3H3
InChIKeyJQDHPKQTPPDFEC-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane (CID 45099849) is 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane is CCC1C2CCCC(CN1C)N2C.
What is the InChIKey of 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane?
The InChIKey is JQDHPKQTPPDFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-10-11-7-5-6-9(13(11)3)8-12(10)2/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane?
2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane has a molecular weight of 182.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 45099849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).