1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C16H28N2OS — CID 116767135

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCOC1(C(Cc2csc(C)n2)NC)CCC(C)CC1
InChIInChI=1S/C16H28N2OS/c1-5-19-16(8-6-12(2)7-9-16)15(17-4)10-14-11-20-13(3)18-14/h11-12,15,17H,5-10H2,1-4H3
InChIKeyFZMJPDHZYRASAU-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.57
Rot. Bonds6

About 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 116767135) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID116767135
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCOC1(C(Cc2csc(C)n2)NC)CCC(C)CC1
InChIInChI=1S/C16H28N2OS/c1-5-19-16(8-6-12(2)7-9-16)15(17-4)10-14-11-20-13(3)18-14/h11-12,15,17H,5-10H2,1-4H3
InChIKeyFZMJPDHZYRASAU-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116763827
N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116762382
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 116767103
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 116767193
2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121
2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767226
1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 116767108
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79060778
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194
1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 103559485
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116768734
N-[1-(4-methoxyoxan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116765137

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 116767135) is 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCOC1(C(Cc2csc(C)n2)NC)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is FZMJPDHZYRASAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-19-16(8-6-12(2)7-9-16)15(17-4)10-14-11-20-13(3)18-14/h11-12,15,17H,5-10H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 296.48 g/mol, XLogP of 3.57, 6 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)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 116767135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).