1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium

C10H21N2+ — CID 138638421

IUPAC1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium
SMILESCCC(CC)C1=[N+](C)CCN1C
InChIInChI=1S/C10H21N2/c1-5-9(6-2)10-11(3)7-8-12(10)4/h9H,5-8H2,1-4H3/q+1
InChIKeyQCDLSFBIDJAUCK-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.41
Rot. Bonds3

About 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium

1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium (PubChem CID 138638421) has the molecular formula C10H21N2+ and a molecular weight of 169.29 g/mol. Its IUPAC name is 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium
PubChem CID138638421
Molecular FormulaC10H21N2+
Molecular Weight169.29 g/mol
Exact Mass169.17
IUPAC Name1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium
SMILESCCC(CC)C1=[N+](C)CCN1C
InChIInChI=1S/C10H21N2/c1-5-9(6-2)10-11(3)7-8-12(10)4/h9H,5-8H2,1-4H3/q+1
InChIKeyQCDLSFBIDJAUCK-UHFFFAOYSA-N
XLogP1.41
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Isopropyl-1-methyl-4,5-dihydro-1h-imidazole
CID 20484726
1,2,3-Triethyl-4,5-dihydro-1H-imidazolium
CID 499188
1-Butyl-2-ethyl-4,5-dihydroimidazole
CID 86103198
2-pentan-3-yl-4,5-dihydro-1H-imidazole
CID 12553564
N,N,5,5-tetramethyl-2-pentan-3-ylimidazol-4-amine
CID 15633074
1-Butyl-2-methyl-4,5-dihydroimidazole
CID 11040787
1-Methyl-2-(2-methylpropyl)-4,5-dihydroimidazole
CID 13928575
1,3-Dimethyl-2-propyl-4,5-dihydroimidazol-1-ium
CID 13928583
1,3-Dimethyl-2-propan-2-yl-4,5-dihydroimidazol-1-ium
CID 13928589
1,2-Diethyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 13928597
2-Butyl-1-methyl-4,5-dihydroimidazole
CID 17934249
N,N'-dimethyl-N-(2-methylbutyl)ethanimidamide
CID 20688202

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium (CID 138638421) is 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium is CCC(CC)C1=[N+](C)CCN1C.
What is the InChIKey of 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium?
The InChIKey is QCDLSFBIDJAUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2/c1-5-9(6-2)10-11(3)7-8-12(10)4/h9H,5-8H2,1-4H3/q+1.
What are the key properties of 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium?
1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium has a molecular weight of 169.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-pentan-3-yl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 138638421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).