1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine

C17H29NOS — CID 63458965

IUPAC1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OC1CCCCC1CC)c1ccc(C)s1
InChIInChI=1S/C17H29NOS/c1-4-13-8-6-7-9-15(13)19-17(14(18)5-2)16-11-10-12(3)20-16/h10-11,13-15,17H,4-9,18H2,1-3H3
InChIKeySOEJEXTUWFFMOD-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.82
Rot. Bonds6

About 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine

1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine (PubChem CID 63458965) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine
PubChem CID63458965
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OC1CCCCC1CC)c1ccc(C)s1
InChIInChI=1S/C17H29NOS/c1-4-13-8-6-7-9-15(13)19-17(14(18)5-2)16-11-10-12(3)20-16/h10-11,13-15,17H,4-9,18H2,1-3H3
InChIKeySOEJEXTUWFFMOD-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine (CID 63458965) is 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine is CCC(N)C(OC1CCCCC1CC)c1ccc(C)s1.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine?
The InChIKey is SOEJEXTUWFFMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-4-13-8-6-7-9-15(13)19-17(14(18)5-2)16-11-10-12(3)20-16/h10-11,13-15,17H,4-9,18H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine?
1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine has a molecular weight of 295.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 63458965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).