5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium

C13H25ClN3O2+ — CID 54587424

IUPAC5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium
SMILESCC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(=O)N1Cl
InChIInChI=1S/C13H25ClN3O2/c1-13(2)11(18)15(12(19)16(13)14)9-7-6-8-10-17(3,4)5/h6-10H2,1-5H3/q+1
InChIKeyYCUYFOHXBWCEOF-UHFFFAOYSA-N
MW290.81 g/mol
LogP2.06
Rot. Bonds6

About 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium

5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium (PubChem CID 54587424) has the molecular formula C13H25ClN3O2+ and a molecular weight of 290.81 g/mol. Its IUPAC name is 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium.

Molecular Properties

Compound Name5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium
PubChem CID54587424
Molecular FormulaC13H25ClN3O2+
Molecular Weight290.81 g/mol
Exact Mass290.16
IUPAC Name5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium
SMILESCC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(=O)N1Cl
InChIInChI=1S/C13H25ClN3O2/c1-13(2)11(18)15(12(19)16(13)14)9-7-6-8-10-17(3,4)5/h6-10H2,1-5H3/q+1
InChIKeyYCUYFOHXBWCEOF-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.81
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium?
The IUPAC name of 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium (CID 54587424) is 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium.
What is the SMILES notation for 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium?
The canonical SMILES for 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium is CC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(=O)N1Cl.
What is the InChIKey of 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium?
The InChIKey is YCUYFOHXBWCEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN3O2/c1-13(2)11(18)15(12(19)16(13)14)9-7-6-8-10-17(3,4)5/h6-10H2,1-5H3/q+1.
What are the key properties of 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium?
5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium has a molecular weight of 290.81 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium is sourced from PubChem (CID 54587424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).