4-ethyl-1,4-diazabicyclo[3.3.1]nonane

C9H18N2 — CID 131052863

IUPAC4-ethyl-1,4-diazabicyclo[3.3.1]nonane
SMILESCCN1CCN2CCCC1C2
InChIInChI=1S/C9H18N2/c1-2-11-7-6-10-5-3-4-9(11)8-10/h9H,2-8H2,1H3
InChIKeyCKDCIBVHOFOTFN-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.79
Rot. Bonds1

About 4-ethyl-1,4-diazabicyclo[3.3.1]nonane

4-ethyl-1,4-diazabicyclo[3.3.1]nonane (PubChem CID 131052863) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-ethyl-1,4-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name4-ethyl-1,4-diazabicyclo[3.3.1]nonane
PubChem CID131052863
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-ethyl-1,4-diazabicyclo[3.3.1]nonane
SMILESCCN1CCN2CCCC1C2
InChIInChI=1S/C9H18N2/c1-2-11-7-6-10-5-3-4-9(11)8-10/h9H,2-8H2,1H3
InChIKeyCKDCIBVHOFOTFN-UHFFFAOYSA-N
XLogP0.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-4-cyclobutyl-1-ethyl-2-methylpiperazine
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(1-ethylpyrrolidin-2-yl)-λ2-stannane
CID 174710208
2-ethyl-2,6-diazabicyclo[3.2.2]nonane
CID 146602390
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
3-ethyl-1,4-diazabicyclo[3.3.1]nonane
CID 130865562
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-diazabicyclo[3.3.1]nonane?
The IUPAC name of 4-ethyl-1,4-diazabicyclo[3.3.1]nonane (CID 131052863) is 4-ethyl-1,4-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 4-ethyl-1,4-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 4-ethyl-1,4-diazabicyclo[3.3.1]nonane is CCN1CCN2CCCC1C2.
What is the InChIKey of 4-ethyl-1,4-diazabicyclo[3.3.1]nonane?
The InChIKey is CKDCIBVHOFOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-11-7-6-10-5-3-4-9(11)8-10/h9H,2-8H2,1H3.
What are the key properties of 4-ethyl-1,4-diazabicyclo[3.3.1]nonane?
4-ethyl-1,4-diazabicyclo[3.3.1]nonane has a molecular weight of 154.26 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 131052863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).