N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine

C15H26N2S — CID 81032468

IUPACN-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1nccs1
InChIInChI=1S/C15H26N2S/c1-3-12-5-6-13(11-16-4-2)14(9-12)10-15-17-7-8-18-15/h7-8,12-14,16H,3-6,9-11H2,1-2H3
InChIKeyMDAASRACNJXPFM-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.74
Rot. Bonds6

About N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine

N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine (PubChem CID 81032468) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
PubChem CID81032468
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1nccs1
InChIInChI=1S/C15H26N2S/c1-3-12-5-6-13(11-16-4-2)14(9-12)10-15-17-7-8-18-15/h7-8,12-14,16H,3-6,9-11H2,1-2H3
InChIKeyMDAASRACNJXPFM-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine (CID 81032468) is N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1Cc1nccs1.
What is the InChIKey of N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is MDAASRACNJXPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-12-5-6-13(11-16-4-2)14(9-12)10-15-17-7-8-18-15/h7-8,12-14,16H,3-6,9-11H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine?
N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 266.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81032468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).