1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine

C18H33N3 — CID 79751362

IUPAC1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1CC(NC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33N3/c1-6-21-12-11-20-17(21)13-16(19-5)14-7-9-15(10-8-14)18(2,3)4/h11-12,14-16,19H,6-10,13H2,1-5H3
InChIKeyOABYYGJZADOADU-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine

1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (PubChem CID 79751362) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
PubChem CID79751362
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1CC(NC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33N3/c1-6-21-12-11-20-17(21)13-16(19-5)14-7-9-15(10-8-14)18(2,3)4/h11-12,14-16,19H,6-10,13H2,1-5H3
InChIKeyOABYYGJZADOADU-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79751359
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 105009408
2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165968
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
N-methyl-1-(3-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79762352
N-ethyl-1-(3-ethylcyclopentyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79761771
3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009226
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
2-(1-ethylimidazol-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751513

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (CID 79751362) is 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is CCn1ccnc1CC(NC)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The InChIKey is OABYYGJZADOADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-21-12-11-20-17(21)13-16(19-5)14-7-9-15(10-8-14)18(2,3)4/h11-12,14-16,19H,6-10,13H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine has a molecular weight of 291.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 79751362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).