N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine

C18H33N3 — CID 79751359

IUPACN-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCCNC(Cc1nccn1CC)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H33N3/c1-5-19-17(13-18-20-11-12-21(18)6-2)16-9-7-15(8-10-16)14(3)4/h11-12,14-17,19H,5-10,13H2,1-4H3
InChIKeyBGTRZLBYTVVQTM-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.89
Rot. Bonds7

About N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 79751359) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID79751359
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCCNC(Cc1nccn1CC)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H33N3/c1-5-19-17(13-18-20-11-12-21(18)6-2)16-9-7-15(8-10-16)14(3)4/h11-12,14-17,19H,5-10,13H2,1-4H3
InChIKeyBGTRZLBYTVVQTM-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-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-cyclopropyl-N-ethyl-4-(1-ethylimidazol-2-yl)butan-1-amine
CID 79762173
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79751362
1-cyclopropyl-N-ethyl-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 63912643
3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 105009408
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
[2-(1-methylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232616
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79744950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 79751359) is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine is CCNC(Cc1nccn1CC)C1CCC(C(C)C)CC1.
What is the InChIKey of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is BGTRZLBYTVVQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-19-17(13-18-20-11-12-21(18)6-2)16-9-7-15(8-10-16)14(3)4/h11-12,14-17,19H,5-10,13H2,1-4H3.
What are the key properties of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 291.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 79751359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).