3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium

C11H23N2+ — CID 162288942

IUPAC3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium
SMILESCC[N+]1(C)CN(C2CCCCC2)C1
InChIInChI=1S/C11H23N2/c1-3-13(2)9-12(10-13)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3/q+1
InChIKeyJMUHYOONLJISLI-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.02
Rot. Bonds2

About 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium

3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium (PubChem CID 162288942) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium
PubChem CID162288942
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Name3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium
SMILESCC[N+]1(C)CN(C2CCCCC2)C1
InChIInChI=1S/C11H23N2/c1-3-13(2)9-12(10-13)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3/q+1
InChIKeyJMUHYOONLJISLI-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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butane;bis(1-cyclohexylpyrrolidine);dihydrate
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1-cyclohexyl-5-ethylpiperidin-3-amine
CID 83989282
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-cyclodecyl-3-methylazetidine
CID 155016918
1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole
CID 170235276

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium?
The IUPAC name of 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium (CID 162288942) is 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium?
The canonical SMILES for 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium is CC[N+]1(C)CN(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium?
The InChIKey is JMUHYOONLJISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2/c1-3-13(2)9-12(10-13)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3/q+1.
What are the key properties of 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium?
3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium has a molecular weight of 183.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium is sourced from PubChem (CID 162288942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).