3,4-diethyl-1,1-dipropylpyrrolidin-1-ium

C14H30N+ — CID 20730088

IUPAC3,4-diethyl-1,1-dipropylpyrrolidin-1-ium
SMILESCCC[N+]1(CCC)CC(CC)C(CC)C1
InChIInChI=1S/C14H30N/c1-5-9-15(10-6-2)11-13(7-3)14(8-4)12-15/h13-14H,5-12H2,1-4H3/q+1
InChIKeyRNSNROXHRLAUCA-UHFFFAOYSA-N
MW212.40 g/mol
LogP3.69
Rot. Bonds6

About 3,4-diethyl-1,1-dipropylpyrrolidin-1-ium

3,4-diethyl-1,1-dipropylpyrrolidin-1-ium (PubChem CID 20730088) has the molecular formula C14H30N+ and a molecular weight of 212.40 g/mol. Its IUPAC name is 3,4-diethyl-1,1-dipropylpyrrolidin-1-ium.

Molecular Properties

Compound Name3,4-diethyl-1,1-dipropylpyrrolidin-1-ium
PubChem CID20730088
Molecular FormulaC14H30N+
Molecular Weight212.40 g/mol
Exact Mass212.24
IUPAC Name3,4-diethyl-1,1-dipropylpyrrolidin-1-ium
SMILESCCC[N+]1(CCC)CC(CC)C(CC)C1
InChIInChI=1S/C14H30N/c1-5-9-15(10-6-2)11-13(7-3)14(8-4)12-15/h13-14H,5-12H2,1-4H3/q+1
InChIKeyRNSNROXHRLAUCA-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 53.69
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

1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-1,3,4-triethylpyrrolidin-1-ium
CID 144653526
3,4-bis[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1,1-dimethylpyrrolidin-1-ium
CID 58611498
1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol
CID 90242287
3-[3,4-diethyl-1-(4-oxobutyl)pyrrolidin-1-ium-1-yl]propylphosphonic acid
CID 118177801
2,3-diethyl-5-azoniaspiro[4.5]decane
CID 20676422
1-propyl-1-[6-(1-propylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 71247353
(3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine;chloride;dihydrochloride
CID 11422429
3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3,4-diethyl-1-methylpyrrolidine;chloride;hydrochloride
CID 162135828
1,1-dipropylazepan-1-ium iodide
CID 22406023
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1-octadecyl-1-propylpyrrolidin-1-ium
CID 69390349
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

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1,1-dipropylpyrrolidin-1-ium?
The IUPAC name of 3,4-diethyl-1,1-dipropylpyrrolidin-1-ium (CID 20730088) is 3,4-diethyl-1,1-dipropylpyrrolidin-1-ium.
What is the SMILES notation for 3,4-diethyl-1,1-dipropylpyrrolidin-1-ium?
The canonical SMILES for 3,4-diethyl-1,1-dipropylpyrrolidin-1-ium is CCC[N+]1(CCC)CC(CC)C(CC)C1.
What is the InChIKey of 3,4-diethyl-1,1-dipropylpyrrolidin-1-ium?
The InChIKey is RNSNROXHRLAUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N/c1-5-9-15(10-6-2)11-13(7-3)14(8-4)12-15/h13-14H,5-12H2,1-4H3/q+1.
What are the key properties of 3,4-diethyl-1,1-dipropylpyrrolidin-1-ium?
3,4-diethyl-1,1-dipropylpyrrolidin-1-ium has a molecular weight of 212.40 g/mol, XLogP of 3.69, 6 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-dipropylpyrrolidin-1-ium is sourced from PubChem (CID 20730088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).