3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane

C15H28N2 — CID 113284780

IUPAC3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCCC1CCCCC1N1CCC2CCC(C1)N2
InChIInChI=1S/C15H28N2/c1-2-12-5-3-4-6-15(12)17-10-9-13-7-8-14(11-17)16-13/h12-16H,2-11H2,1H3
InChIKeyLDGMNGULZWLGKG-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.78
Rot. Bonds2

About 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane

3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 113284780) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID113284780
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCCC1CCCCC1N1CCC2CCC(C1)N2
InChIInChI=1S/C15H28N2/c1-2-12-5-3-4-6-15(12)17-10-9-13-7-8-14(11-17)16-13/h12-16H,2-11H2,1H3
InChIKeyLDGMNGULZWLGKG-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol
CID 113284861
1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine
CID 61470287
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
[4-(2-ethylcyclohexyl)morpholin-2-yl]methanol
CID 81219544
3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane
CID 115313678
1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine
CID 66203078
1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine
CID 63863007
3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine
CID 64923764
N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081632
methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
CID 115537102
N-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methyl]propan-2-amine
CID 63863250
3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313910

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane (CID 113284780) is 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane is CCC1CCCCC1N1CCC2CCC(C1)N2.
What is the InChIKey of 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is LDGMNGULZWLGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-12-5-3-4-6-15(12)17-10-9-13-7-8-14(11-17)16-13/h12-16H,2-11H2,1H3.
What are the key properties of 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 236.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 113284780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).