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

C16H28N2OS — CID 116768734

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCOC1(C(Cc2nccs2)NC)CCC(C)(C)CC1
InChIInChI=1S/C16H28N2OS/c1-5-19-16(8-6-15(2,3)7-9-16)13(17-4)12-14-18-10-11-20-14/h10-11,13,17H,5-9,12H2,1-4H3
InChIKeyWNTAKADDRJZWOA-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.65
Rot. Bonds6

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

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 116768734) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID116768734
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCOC1(C(Cc2nccs2)NC)CCC(C)(C)CC1
InChIInChI=1S/C16H28N2OS/c1-5-19-16(8-6-15(2,3)7-9-16)13(17-4)12-14-18-10-11-20-14/h10-11,13,17H,5-9,12H2,1-4H3
InChIKeyWNTAKADDRJZWOA-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116765590
[1-(1-ethoxycyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105276383
1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116762857
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051205
[1-(1-ethoxy-3-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105277794
1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 116770574
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116768795
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761910
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 114857241
2-cyclohexyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116768788
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116767135
1-(1-ethoxycyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116763827

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (CID 116768734) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is CCOC1(C(Cc2nccs2)NC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is WNTAKADDRJZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-19-16(8-6-15(2,3)7-9-16)13(17-4)12-14-18-10-11-20-14/h10-11,13,17H,5-9,12H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 296.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 116768734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).