3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane

C11H26N+ — CID 159214437

IUPAC3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane
SMILESC.CCC1CC(C)C[N+](C)(C)C1
InChIInChI=1S/C10H22N.CH4/c1-5-10-6-9(2)7-11(3,4)8-10;/h9-10H,5-8H2,1-4H3;1H4/q+1;
InChIKeyKQWUHRZXXMGYDH-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.76
Rot. Bonds1

About 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane

3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane (PubChem CID 159214437) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane.

Molecular Properties

Compound Name3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane
PubChem CID159214437
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Name3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane
SMILESC.CCC1CC(C)C[N+](C)(C)C1
InChIInChI=1S/C10H22N.CH4/c1-5-10-6-9(2)7-11(3,4)8-10;/h9-10H,5-8H2,1-4H3;1H4/q+1;
InChIKeyKQWUHRZXXMGYDH-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159989593
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CID 130263001
4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane
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CID 143549487
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
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CID 145484121
1,3-diethylcyclobutane;methane;propane
CID 161327157
ethane;1-ethyl-3-methylcyclopentane;propane
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trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
[(1R,3R,5R)-3-ethyl-5-methylcyclohexyl]methanol
CID 14940084

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane?
The IUPAC name of 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane (CID 159214437) is 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane.
What is the SMILES notation for 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane?
The canonical SMILES for 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane is C.CCC1CC(C)C[N+](C)(C)C1.
What is the InChIKey of 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane?
The InChIKey is KQWUHRZXXMGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N.CH4/c1-5-10-6-9(2)7-11(3,4)8-10;/h9-10H,5-8H2,1-4H3;1H4/q+1;.
What are the key properties of 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane?
3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane has a molecular weight of 172.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane is sourced from PubChem (CID 159214437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).