3-ethyl-3,9-diazabicyclo[4.2.1]nonane

C9H18N2 — CID 71755572

IUPAC3-ethyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCCN1CCC2CCC(C1)N2
InChIInChI=1S/C9H18N2/c1-2-11-6-5-8-3-4-9(7-11)10-8/h8-10H,2-7H2,1H3
InChIKeyLIWDBILSDMYGHH-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds1

About 3-ethyl-3,9-diazabicyclo[4.2.1]nonane

3-ethyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 71755572) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-ethyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-ethyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID71755572
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-ethyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCCN1CCC2CCC(C1)N2
InChIInChI=1S/C9H18N2/c1-2-11-6-5-8-3-4-9(7-11)10-8/h8-10H,2-7H2,1H3
InChIKeyLIWDBILSDMYGHH-UHFFFAOYSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-ethyl-3,9-diazabicyclo[4.2.1]nonane (CID 71755572) is 3-ethyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-ethyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-ethyl-3,9-diazabicyclo[4.2.1]nonane is CCN1CCC2CCC(C1)N2.
What is the InChIKey of 3-ethyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is LIWDBILSDMYGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-11-6-5-8-3-4-9(7-11)10-8/h8-10H,2-7H2,1H3.
What are the key properties of 3-ethyl-3,9-diazabicyclo[4.2.1]nonane?
3-ethyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 154.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 71755572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).