1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine

C14H24N2OS — CID 116770574

IUPAC1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCOC1(C(N)Cc2nccs2)CCCCCC1
InChIInChI=1S/C14H24N2OS/c1-2-17-14(7-5-3-4-6-8-14)12(15)11-13-16-9-10-18-13/h9-10,12H,2-8,11,15H2,1H3
InChIKeyXWOKWBHRCVGVLN-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.14
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine

1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 116770574) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID116770574
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCOC1(C(N)Cc2nccs2)CCCCCC1
InChIInChI=1S/C14H24N2OS/c1-2-17-14(7-5-3-4-6-8-14)12(15)11-13-16-9-10-18-13/h9-10,12H,2-8,11,15H2,1H3
InChIKeyXWOKWBHRCVGVLN-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-ethoxycyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105276383
1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 116761823
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol
CID 104610440
[1-(1-ethoxy-3-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105277794
1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116762857
1-(1-ethoxycyclopentyl)-2-quinolin-4-ylethanamine
CID 116761616
1-(1-ethoxycyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 116761822
2-(1-ethoxycycloheptyl)-1,3-thiazole
CID 116782694
1-(1-ethoxycyclopentyl)-2-(furan-2-yl)ethanamine
CID 116761654
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116768734

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 116770574) is 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine is CCOC1(C(N)Cc2nccs2)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is XWOKWBHRCVGVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-17-14(7-5-3-4-6-8-14)12(15)11-13-16-9-10-18-13/h9-10,12H,2-8,11,15H2,1H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine?
1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 268.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 116770574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).