5-hexyl-2,3-dimethylimidazol-4-amine

C11H21N3 — CID 62226133

IUPAC5-hexyl-2,3-dimethylimidazol-4-amine
SMILESCCCCCCc1nc(C)n(C)c1N
InChIInChI=1S/C11H21N3/c1-4-5-6-7-8-10-11(12)14(3)9(2)13-10/h4-8,12H2,1-3H3
InChIKeyDPMVQDUWSUIHGN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.43
Rot. Bonds5

About 5-hexyl-2,3-dimethylimidazol-4-amine

5-hexyl-2,3-dimethylimidazol-4-amine (PubChem CID 62226133) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-hexyl-2,3-dimethylimidazol-4-amine.

Molecular Properties

Compound Name5-hexyl-2,3-dimethylimidazol-4-amine
PubChem CID62226133
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-hexyl-2,3-dimethylimidazol-4-amine
SMILESCCCCCCc1nc(C)n(C)c1N
InChIInChI=1S/C11H21N3/c1-4-5-6-7-8-10-11(12)14(3)9(2)13-10/h4-8,12H2,1-3H3
InChIKeyDPMVQDUWSUIHGN-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-2-ethyl-3-methylimidazol-4-amine
CID 62225832
2,4-dimethyl-5-nonylpyrazol-3-amine
CID 65426344
3-butyl-2-ethyl-5-heptylimidazol-4-amine
CID 63469087
5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62220138
5-heptyl-3-methylimidazol-4-amine
CID 62081508
5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62221040
2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine
CID 55048836
5-methyl-2-pentylimidazo[1,2-a]pyridin-3-amine
CID 63616765
2,3-dicyclopropyl-5-hexylimidazol-4-amine
CID 62220748
3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine
CID 62219908
5-benzyl-2,3-dimethylimidazol-4-amine
CID 62225752
2-cyclohexyl-4-heptylimidazole-1,5-diamine
CID 63468221

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2,3-dimethylimidazol-4-amine?
The IUPAC name of 5-hexyl-2,3-dimethylimidazol-4-amine (CID 62226133) is 5-hexyl-2,3-dimethylimidazol-4-amine.
What is the SMILES notation for 5-hexyl-2,3-dimethylimidazol-4-amine?
The canonical SMILES for 5-hexyl-2,3-dimethylimidazol-4-amine is CCCCCCc1nc(C)n(C)c1N.
What is the InChIKey of 5-hexyl-2,3-dimethylimidazol-4-amine?
The InChIKey is DPMVQDUWSUIHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-7-8-10-11(12)14(3)9(2)13-10/h4-8,12H2,1-3H3.
What are the key properties of 5-hexyl-2,3-dimethylimidazol-4-amine?
5-hexyl-2,3-dimethylimidazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2,3-dimethylimidazol-4-amine is sourced from PubChem (CID 62226133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).