1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

C17H31N3O — CID 116763883

IUPAC1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)C1(OCC)CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-12-20-13-11-19-16(20)14-15(18-3)17(21-5-2)9-7-6-8-10-17/h11,13,15,18H,4-10,12,14H2,1-3H3
InChIKeyNHUANAPKDCWXFV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.16
Rot. Bonds8

About 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 116763883) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID116763883
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)C1(OCC)CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-12-20-13-11-19-16(20)14-15(18-3)17(21-5-2)9-7-6-8-10-17/h11,13,15,18H,4-10,12,14H2,1-3H3
InChIKeyNHUANAPKDCWXFV-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-ethoxyoxan-4-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105276954
N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 116762441
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 116767193
1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116761834
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
1-(1-methoxycyclopentyl)-2-(1-propylimidazol-2-yl)ethanol
CID 104610436
1-[1-(ethylamino)-2-(1-propylimidazol-2-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79751938
[1-(1-ethoxycyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105275809
[2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268880
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
[1-(1-ethoxycyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105276351

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (CID 116763883) is 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NC)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is NHUANAPKDCWXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-12-20-13-11-19-16(20)14-15(18-3)17(21-5-2)9-7-6-8-10-17/h11,13,15,18H,4-10,12,14H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 116763883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).