1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine

C13H26N3+ — CID 66591286

IUPAC1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine
SMILESCCCN1CCN(CCC)C1=[N+]1CCCC1
InChIInChI=1S/C13H26N3/c1-3-7-14-11-12-15(8-4-2)13(14)16-9-5-6-10-16/h3-12H2,1-2H3/q+1
InChIKeyBVWFEAIASABSIF-UHFFFAOYSA-N
MW224.37 g/mol
LogP1.59
Rot. Bonds4

About 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine

1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine (PubChem CID 66591286) has the molecular formula C13H26N3+ and a molecular weight of 224.37 g/mol. Its IUPAC name is 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine.

Molecular Properties

Compound Name1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine
PubChem CID66591286
Molecular FormulaC13H26N3+
Molecular Weight224.37 g/mol
Exact Mass224.21
IUPAC Name1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine
SMILESCCCN1CCN(CCC)C1=[N+]1CCCC1
InChIInChI=1S/C13H26N3/c1-3-7-14-11-12-15(8-4-2)13(14)16-9-5-6-10-16/h3-12H2,1-2H3/q+1
InChIKeyBVWFEAIASABSIF-UHFFFAOYSA-N
XLogP1.59
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium;1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine;1-methyl-3-propyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-ium
CID 161070954
1-amino-3-propyl-1,3-diazinan-2-one
CID 104601098
2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde
CID 84765786
N-methyl-1-propylazepan-2-imine
CID 130445092
1-propyl-1,3-diazepane-2-thione
CID 154491724
1-propylpyrrolidine;hydrobromide
CID 173024709
1-(2-ethylhexyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 89448985
1,3-dibutylimidazolidin-2-one
CID 20887
5-(2,3-dioxo-4-propylpiperazin-1-yl)pentanenitrile
CID 113463112
4-propylthiomorpholin-3-one
CID 56979350
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
butane;1-methylpyrrolidine
CID 143371006

Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine?
The IUPAC name of 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine (CID 66591286) is 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine.
What is the SMILES notation for 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine?
The canonical SMILES for 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine is CCCN1CCN(CCC)C1=[N+]1CCCC1.
What is the InChIKey of 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine?
The InChIKey is BVWFEAIASABSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N3/c1-3-7-14-11-12-15(8-4-2)13(14)16-9-5-6-10-16/h3-12H2,1-2H3/q+1.
What are the key properties of 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine?
1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine has a molecular weight of 224.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-2-pyrrolidin-1-ium-1-ylideneimidazolidine is sourced from PubChem (CID 66591286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).