1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine

C17H31N3O — CID 116767193

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2nccn2CC)NC)CCC(C)CC1
InChIInChI=1S/C17H31N3O/c1-5-20-12-11-19-16(20)13-15(18-4)17(21-6-2)9-7-14(3)8-10-17/h11-12,14-15,18H,5-10,13H2,1-4H3
InChIKeyGKKSQWLSBAHFGE-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.02
Rot. Bonds7

About 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine

1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (PubChem CID 116767193) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
PubChem CID116767193
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2nccn2CC)NC)CCC(C)CC1
InChIInChI=1S/C17H31N3O/c1-5-20-12-11-19-16(20)13-15(18-4)17(21-6-2)9-7-14(3)8-10-17/h11-12,14-15,18H,5-10,13H2,1-4H3
InChIKeyGKKSQWLSBAHFGE-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 116763883
N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 116762441
1-[2-(1-ethylimidazol-2-yl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79752550
[1-(1-ethoxy-4-methylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277349
2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767226
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116767135
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 116767103
[1-(4-ethoxyoxan-4-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105276954
2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121
[2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268880
1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 116767108
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105321806

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (CID 116767193) is 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is CCOC1(C(Cc2nccn2CC)NC)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The InChIKey is GKKSQWLSBAHFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-20-12-11-19-16(20)13-15(18-4)17(21-6-2)9-7-14(3)8-10-17/h11-12,14-15,18H,5-10,13H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 116767193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).