1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

C13H22N2OS — CID 116762857

IUPAC1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)C1(OC)CCCCC1
InChIInChI=1S/C13H22N2OS/c1-14-11(10-12-15-8-9-17-12)13(16-2)6-4-3-5-7-13/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyNRDAYDFYHXPDEL-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.62
Rot. Bonds5

About 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 116762857) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID116762857
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)C1(OC)CCCCC1
InChIInChI=1S/C13H22N2OS/c1-14-11(10-12-15-8-9-17-12)13(16-2)6-4-3-5-7-13/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyNRDAYDFYHXPDEL-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol
CID 104610440
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-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116768734
1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 116770574
1-(1-methoxycyclobutyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 116714429
3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 116763051
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
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
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (CID 116762857) is 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is CNC(Cc1nccs1)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is NRDAYDFYHXPDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-14-11(10-12-15-8-9-17-12)13(16-2)6-4-3-5-7-13/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 116762857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).