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

C9H18N2 — CID 130865562

IUPAC3-ethyl-1,4-diazabicyclo[3.3.1]nonane
SMILESCCC1CN2CCCC(C2)N1
InChIInChI=1S/C9H18N2/c1-2-8-6-11-5-3-4-9(7-11)10-8/h8-10H,2-7H2,1H3
InChIKeyWVIJZUYPYQYIRD-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds1

About 3-ethyl-1,4-diazabicyclo[3.3.1]nonane

3-ethyl-1,4-diazabicyclo[3.3.1]nonane (PubChem CID 130865562) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-ethyl-1,4-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-ethyl-1,4-diazabicyclo[3.3.1]nonane
PubChem CID130865562
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-ethyl-1,4-diazabicyclo[3.3.1]nonane
SMILESCCC1CN2CCCC(C2)N1
InChIInChI=1S/C9H18N2/c1-2-8-6-11-5-3-4-9(7-11)10-8/h8-10H,2-7H2,1H3
InChIKeyWVIJZUYPYQYIRD-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

Analyze 3-ethyl-1,4-diazabicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2-azabicyclo[3.3.1]nonane
CID 146474793
(6S)-1,5-diazabicyclo[4.3.1]decane
CID 118586261
methyl 1,5-diazabicyclo[4.3.1]decane-4-carboxylate
CID 105451701
4-ethyl-1,4-diazabicyclo[3.3.1]nonane
CID 131052863
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 113284780
2,6-diethyl-4-piperidin-1-ylpiperidine
CID 166046467
6-propoxy-1-azabicyclo[3.2.1]octane
CID 19848699
ethane;3-ethyl-1-methylpiperidine
CID 142833851
3-(3-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 64944868
1-tert-butyl-4-ethylimidazolidin-2-one
CID 146336737
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-ethyl-1,4-diazabicyclo[3.3.1]nonane (CID 130865562) is 3-ethyl-1,4-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-ethyl-1,4-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-ethyl-1,4-diazabicyclo[3.3.1]nonane is CCC1CN2CCCC(C2)N1.
What is the InChIKey of 3-ethyl-1,4-diazabicyclo[3.3.1]nonane?
The InChIKey is WVIJZUYPYQYIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-8-6-11-5-3-4-9(7-11)10-8/h8-10H,2-7H2,1H3.
What are the key properties of 3-ethyl-1,4-diazabicyclo[3.3.1]nonane?
3-ethyl-1,4-diazabicyclo[3.3.1]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-1,4-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 130865562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).