1-(2-hexyl-4-methylimidazol-1-yl)ethanamine

C12H23N3 — CID 174643052

IUPAC1-(2-hexyl-4-methylimidazol-1-yl)ethanamine
SMILESCCCCCCc1nc(C)cn1C(C)N
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-12-14-10(2)9-15(12)11(3)13/h9,11H,4-8,13H2,1-3H3
InChIKeyZJGMVINVHAYFHR-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.79
Rot. Bonds6

About 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine

1-(2-hexyl-4-methylimidazol-1-yl)ethanamine (PubChem CID 174643052) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-hexyl-4-methylimidazol-1-yl)ethanamine
PubChem CID174643052
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(2-hexyl-4-methylimidazol-1-yl)ethanamine
SMILESCCCCCCc1nc(C)cn1C(C)N
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-12-14-10(2)9-15(12)11(3)13/h9,11H,4-8,13H2,1-3H3
InChIKeyZJGMVINVHAYFHR-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.79
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

2-decyl-4-methylimidazol-1-amine
CID 154390416
1-(2-undecylimidazol-1-yl)ethanamine
CID 21242197
4-methyl-2-undecylimidazole-1-carbonitrile
CID 142744068
6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 70808083
3-(4-methyl-2-undecylimidazol-1-yl)propanenitrile
CID 170847829
2,4-didecyl-1-methylimidazole
CID 68813551
6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
CID 175127934
5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62221040
3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine
CID 54102720
(2S)-2-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
CID 124559917
(5-heptyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112592993
(5-octyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112593090

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine?
The IUPAC name of 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine (CID 174643052) is 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine is CCCCCCc1nc(C)cn1C(C)N.
What is the InChIKey of 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine?
The InChIKey is ZJGMVINVHAYFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-6-7-8-12-14-10(2)9-15(12)11(3)13/h9,11H,4-8,13H2,1-3H3.
What are the key properties of 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine?
1-(2-hexyl-4-methylimidazol-1-yl)ethanamine has a molecular weight of 209.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexyl-4-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 174643052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).