2,4-dimethyl-1-propylimidazol-1-ium-1-amine

C8H16N3+ — CID 91483074

IUPAC2,4-dimethyl-1-propylimidazol-1-ium-1-amine
SMILESCCC[N+]1(N)C=C(C)N=C1C
InChIInChI=1S/C8H16N3/c1-4-5-11(9)6-7(2)10-8(11)3/h6H,4-5,9H2,1-3H3/q+1
InChIKeyUGIHSTFPYPEWEH-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.38
Rot. Bonds2

About 2,4-dimethyl-1-propylimidazol-1-ium-1-amine

2,4-dimethyl-1-propylimidazol-1-ium-1-amine (PubChem CID 91483074) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is 2,4-dimethyl-1-propylimidazol-1-ium-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-propylimidazol-1-ium-1-amine
PubChem CID91483074
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Name2,4-dimethyl-1-propylimidazol-1-ium-1-amine
SMILESCCC[N+]1(N)C=C(C)N=C1C
InChIInChI=1S/C8H16N3/c1-4-5-11(9)6-7(2)10-8(11)3/h6H,4-5,9H2,1-3H3/q+1
InChIKeyUGIHSTFPYPEWEH-UHFFFAOYSA-N
XLogP1.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-1,2,4-trimethylimidazol-1-ium
CID 122699323
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide
CID 167019592
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide
CID 142097634

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propylimidazol-1-ium-1-amine?
The IUPAC name of 2,4-dimethyl-1-propylimidazol-1-ium-1-amine (CID 91483074) is 2,4-dimethyl-1-propylimidazol-1-ium-1-amine.
What is the SMILES notation for 2,4-dimethyl-1-propylimidazol-1-ium-1-amine?
The canonical SMILES for 2,4-dimethyl-1-propylimidazol-1-ium-1-amine is CCC[N+]1(N)C=C(C)N=C1C.
What is the InChIKey of 2,4-dimethyl-1-propylimidazol-1-ium-1-amine?
The InChIKey is UGIHSTFPYPEWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3/c1-4-5-11(9)6-7(2)10-8(11)3/h6H,4-5,9H2,1-3H3/q+1.
What are the key properties of 2,4-dimethyl-1-propylimidazol-1-ium-1-amine?
2,4-dimethyl-1-propylimidazol-1-ium-1-amine has a molecular weight of 154.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propylimidazol-1-ium-1-amine is sourced from PubChem (CID 91483074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).