N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C16H28N2S — CID 79824497

IUPACN-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)C1CCCC(CC)C1
InChIInChI=1S/C16H28N2S/c1-3-8-17-15(12-16-18-9-10-19-16)14-7-5-6-13(4-2)11-14/h9-10,13-15,17H,3-8,11-12H2,1-2H3
InChIKeyUKRYEFQVWOJRID-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.27
Rot. Bonds7

About N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 79824497) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID79824497
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)C1CCCC(CC)C1
InChIInChI=1S/C16H28N2S/c1-3-8-17-15(12-16-18-9-10-19-16)14-7-5-6-13(4-2)11-14/h9-10,13-15,17H,3-8,11-12H2,1-2H3
InChIKeyUKRYEFQVWOJRID-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825132
4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 65414759
N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 80626828
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 104992458
[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105232079
[1-cyclooctyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105255195
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine
CID 65412607
N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79826944
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105156181
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 79824497) is N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)C1CCCC(CC)C1.
What is the InChIKey of N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is UKRYEFQVWOJRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-8-17-15(12-16-18-9-10-19-16)14-7-5-6-13(4-2)11-14/h9-10,13-15,17H,3-8,11-12H2,1-2H3.
What are the key properties of N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79824497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).