1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

C17H31N3O — CID 106571259

IUPAC1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C(C)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-21-12-8-11-18-17-19-14(2)13-20(17)15(3)16-9-6-5-7-10-16/h13,15-16H,4-12H2,1-3H3,(H,18,19)
InChIKeyXGAHSSFRJBTFMU-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.17
Rot. Bonds8

About 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106571259) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106571259
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C(C)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-21-12-8-11-18-17-19-14(2)13-20(17)15(3)16-9-6-5-7-10-16/h13,15-16H,4-12H2,1-3H3,(H,18,19)
InChIKeyXGAHSSFRJBTFMU-UHFFFAOYSA-N
XLogP4.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine
CID 106582706
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
1-(1-cyclohexylethyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106571270
N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562010
1-(1-cyclohexylethyl)-N-cyclopropyl-4-methylimidazol-2-amine
CID 106571292
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571255
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581056
N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine
CID 106564369
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106571259) is 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCNc1nc(C)cn1C(C)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is XGAHSSFRJBTFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-21-12-8-11-18-17-19-14(2)13-20(17)15(3)16-9-6-5-7-10-16/h13,15-16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106571259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).