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

C17H30N2OS — CID 116768464

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C17H30N2OS/c1-5-18-15(10-16-19-14(4)12-21-16)17(20-6-2)9-7-8-13(3)11-17/h12-13,15,18H,5-11H2,1-4H3
InChIKeyKASXXSABGIZTFA-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.96
Rot. Bonds7

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

1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 116768464) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID116768464
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C17H30N2OS/c1-5-18-15(10-16-19-14(4)12-21-16)17(20-6-2)9-7-8-13(3)11-17/h12-13,15,18H,5-11H2,1-4H3
InChIKeyKASXXSABGIZTFA-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116764166
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116767948
N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104611138
[1-(1-ethoxy-3-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105277794
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116765085
N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 116768386
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116768455
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 116768464) is 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nc(C)cs1)C1(OCC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is KASXXSABGIZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-5-18-15(10-16-19-14(4)12-21-16)17(20-6-2)9-7-8-13(3)11-17/h12-13,15,18H,5-11H2,1-4H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 310.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 116768464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).