1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium

C12H27N2+ — CID 162280734

IUPAC1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium
SMILESCC(C)C(C)N1CC(C)(C)[N+](C)(C)C1
InChIInChI=1S/C12H27N2/c1-10(2)11(3)13-8-12(4,5)14(6,7)9-13/h10-11H,8-9H2,1-7H3/q+1
InChIKeyFDZKUSMJXOINPG-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.16
Rot. Bonds2

About 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium

1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium (PubChem CID 162280734) has the molecular formula C12H27N2+ and a molecular weight of 199.36 g/mol. Its IUPAC name is 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium.

Molecular Properties

Compound Name1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium
PubChem CID162280734
Molecular FormulaC12H27N2+
Molecular Weight199.36 g/mol
Exact Mass199.22
IUPAC Name1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium
SMILESCC(C)C(C)N1CC(C)(C)[N+](C)(C)C1
InChIInChI=1S/C12H27N2/c1-10(2)11(3)13-8-12(4,5)14(6,7)9-13/h10-11H,8-9H2,1-7H3/q+1
InChIKeyFDZKUSMJXOINPG-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine
CID 130656064
3,3-dimethyl-1-(3-methylbutan-2-yl)-1,4-diazepane
CID 64944708
ethane;1-(3-methylbutan-2-yl)pyrrolidine
CID 178106115
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
9-(3-methylbutan-2-yl)-6,9-diazaspiro[4.5]decane
CID 64923852
[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine
CID 170008782
2-(3,3-dimethylazetidin-1-yl)propan-1-amine
CID 79677925
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
CID 129146201
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146
1-cyclopropyl-4-(3-methylbutan-2-yl)piperazine
CID 138669145

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium?
The IUPAC name of 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium (CID 162280734) is 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium.
What is the SMILES notation for 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium?
The canonical SMILES for 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium is CC(C)C(C)N1CC(C)(C)[N+](C)(C)C1.
What is the InChIKey of 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium?
The InChIKey is FDZKUSMJXOINPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N2/c1-10(2)11(3)13-8-12(4,5)14(6,7)9-13/h10-11H,8-9H2,1-7H3/q+1.
What are the key properties of 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium?
1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium has a molecular weight of 199.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetramethyl-3-(3-methylbutan-2-yl)imidazolidin-1-ium is sourced from PubChem (CID 162280734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).