(1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium

C13H29N2+ — CID 162288863

IUPAC(1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
SMILESCCC(C)(C)N1CC(C)(C)[N@@+](C)(CC)C1
InChIInChI=1S/C13H29N2/c1-8-12(3,4)14-10-13(5,6)15(7,9-2)11-14/h8-11H2,1-7H3/q+1/t15-/m0/s1
InChIKeyVZFJRAAVSVKYNG-HNNXBMFYSA-N
MW213.39 g/mol
LogP2.69
Rot. Bonds3

About (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium

(1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium (PubChem CID 162288863) has the molecular formula C13H29N2+ and a molecular weight of 213.39 g/mol. Its IUPAC name is (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium.

Molecular Properties

Compound Name(1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
PubChem CID162288863
Molecular FormulaC13H29N2+
Molecular Weight213.39 g/mol
Exact Mass213.23
IUPAC Name(1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
SMILESCCC(C)(C)N1CC(C)(C)[N@@+](C)(CC)C1
InChIInChI=1S/C13H29N2/c1-8-12(3,4)14-10-13(5,6)15(7,9-2)11-14/h8-11H2,1-7H3/q+1/t15-/m0/s1
InChIKeyVZFJRAAVSVKYNG-HNNXBMFYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
1,1-diethyl-5-methyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
CID 162288868
3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
CID 162288846
3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine
CID 64925996
1,3-bis(2-methylbutan-2-yl)azetidine
CID 176964462
(1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane
CID 126510553
3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
CID 155259857
1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
1-ethyl-1,2,2-trimethylpiperidin-1-ium
CID 54011719
3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane
CID 64944681
6-(2-methylbutan-2-yl)-6-azaspiro[3.4]octan-3-amine
CID 155370700
[3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 155370626

Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium?
The IUPAC name of (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium (CID 162288863) is (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium.
What is the SMILES notation for (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium?
The canonical SMILES for (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium is CCC(C)(C)N1CC(C)(C)[N@@+](C)(CC)C1.
What is the InChIKey of (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium?
The InChIKey is VZFJRAAVSVKYNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C13H29N2/c1-8-12(3,4)14-10-13(5,6)15(7,9-2)11-14/h8-11H2,1-7H3/q+1/t15-/m0/s1.
What are the key properties of (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium?
(1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium has a molecular weight of 213.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium is sourced from PubChem (CID 162288863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).