1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium

C14H27N2+ — CID 175344827

IUPAC1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium
SMILESCCCC(C)C1=C(C)[N+](C)(CC)C(CC)=N1
InChIInChI=1S/C14H27N2/c1-7-10-11(4)14-12(5)16(6,9-3)13(8-2)15-14/h11H,7-10H2,1-6H3/q+1
InChIKeyUUBUJIWGBZIOLW-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.94
Rot. Bonds5

About 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium

1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium (PubChem CID 175344827) has the molecular formula C14H27N2+ and a molecular weight of 223.38 g/mol. Its IUPAC name is 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium.

Molecular Properties

Compound Name1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium
PubChem CID175344827
Molecular FormulaC14H27N2+
Molecular Weight223.38 g/mol
Exact Mass223.22
IUPAC Name1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium
SMILESCCCC(C)C1=C(C)[N+](C)(CC)C(CC)=N1
InChIInChI=1S/C14H27N2/c1-7-10-11(4)14-12(5)16(6,9-3)13(8-2)15-14/h11H,7-10H2,1-6H3/q+1
InChIKeyUUBUJIWGBZIOLW-UHFFFAOYSA-N
XLogP3.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.94
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

N-ethyl-N-(2-hydrazinylideneethyl)-3,5,6-trimethyl-3,4-dihydropyridin-2-amine
CID 78049991
CID 155707132
CID 155707132
CID 163400867
CID 163400867
2-piperidin-1-yl-4-propan-2-yl-3H-pyrrole-5-carbonitrile
CID 170144696
N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine
CID 170581603
ethane;N-methyl-5-(4-methylpentyl)-1-propan-2-yl-3H-pyrrol-2-imine
CID 171106562
N-[(Z)-3,4-dimethylpent-2-en-2-yl]-1,5-dimethylpyrrolidin-2-imine
CID 173872596
(6Z)-6-ethyl-3,4,8-trimethyl-5,8,9,10-tetrahydroimidazo[1,2-a]azocin-4-ium
CID 174103827
5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine
CID 174319616
1,1,2,4,5-Pentapentylimidazol-1-ium
CID 175286697
1,5-Dibutyl-1,2-dimethyl-4-(3-methylbutyl)imidazol-1-ium tetrafluoroborate
CID 175301779
5-Butyl-1-ethyl-1,2-dimethyl-4-(3-methylbutyl)imidazol-1-ium tetrafluoroborate
CID 175301785

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium?
The IUPAC name of 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium (CID 175344827) is 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium.
What is the SMILES notation for 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium?
The canonical SMILES for 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium is CCCC(C)C1=C(C)[N+](C)(CC)C(CC)=N1.
What is the InChIKey of 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium?
The InChIKey is UUBUJIWGBZIOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2/c1-7-10-11(4)14-12(5)16(6,9-3)13(8-2)15-14/h11H,7-10H2,1-6H3/q+1.
What are the key properties of 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium?
1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium has a molecular weight of 223.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium is sourced from PubChem (CID 175344827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).