3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium

C20H44N2+2 — CID 159989593

IUPAC3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium
SMILESCCC1CC(C)C[N+](C)(C)C1.CCC1C[N+](C)(C)CC1CC
InChIInChI=1S/2C10H22N/c1-5-10-6-9(2)7-11(3,4)8-10;1-5-9-7-11(3,4)8-10(9)6-2/h2*9-10H,5-8H2,1-4H3/q2*+1
InChIKeyOGTXUEHCTHWRMV-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.26
Rot. Bonds3

About 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium

3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium (PubChem CID 159989593) has the molecular formula C20H44N2+2 and a molecular weight of 312.59 g/mol. Its IUPAC name is 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium.

Molecular Properties

Compound Name3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium
PubChem CID159989593
Molecular FormulaC20H44N2+2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC Name3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium
SMILESCCC1CC(C)C[N+](C)(C)C1.CCC1C[N+](C)(C)CC1CC
InChIInChI=1S/2C10H22N/c1-5-10-6-9(2)7-11(3,4)8-10;1-5-9-7-11(3,4)8-10(9)6-2/h2*9-10H,5-8H2,1-4H3/q2*+1
InChIKeyOGTXUEHCTHWRMV-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.26
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

3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane
CID 159214437
3,4-bis[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1,1-dimethylpyrrolidin-1-ium
CID 58611498
3-ethyl-1,1-dimethylazetidin-1-ium
CID 130263001
4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane
CID 20676438
3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3,4-diethyl-1-methylpyrrolidine;chloride;hydrochloride
CID 162135828
4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol
CID 20676436
carbanide;(1S)-3-ethyl-4-[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1-[4-[(1R)-3-ethyl-4-[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1-methylpyrrolidin-1-ium-1-yl]butyl]-1-methylpyrrolidin-1-ium
CID 160624540
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
acetamide;1-ethyl-3-methylcyclobutane
CID 145484121
1-ethyl-3-methylcyclopentane;methane
CID 144878558
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium?
The IUPAC name of 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium (CID 159989593) is 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium.
What is the SMILES notation for 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium?
The canonical SMILES for 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium is CCC1CC(C)C[N+](C)(C)C1.CCC1C[N+](C)(C)CC1CC.
What is the InChIKey of 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium?
The InChIKey is OGTXUEHCTHWRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22N/c1-5-10-6-9(2)7-11(3,4)8-10;1-5-9-7-11(3,4)8-10(9)6-2/h2*9-10H,5-8H2,1-4H3/q2*+1.
What are the key properties of 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium?
3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium has a molecular weight of 312.59 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium is sourced from PubChem (CID 159989593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).