2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine

C16H27NOS — CID 55020897

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine
SMILESCC1CCC(C(C)C)C(OC(CN)c2cccs2)C1
InChIInChI=1S/C16H27NOS/c1-11(2)13-7-6-12(3)9-14(13)18-15(10-17)16-5-4-8-19-16/h4-5,8,11-15H,6-7,9-10,17H2,1-3H3
InChIKeyKKFHEXFWKNIBNO-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.23
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine (PubChem CID 55020897) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine
PubChem CID55020897
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine
SMILESCC1CCC(C(C)C)C(OC(CN)c2cccs2)C1
InChIInChI=1S/C16H27NOS/c1-11(2)13-7-6-12(3)9-14(13)18-15(10-17)16-5-4-8-19-16/h4-5,8,11-15H,6-7,9-10,17H2,1-3H3
InChIKeyKKFHEXFWKNIBNO-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine (CID 55020897) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine is CC1CCC(C(C)C)C(OC(CN)c2cccs2)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine?
The InChIKey is KKFHEXFWKNIBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-11(2)13-7-6-12(3)9-14(13)18-15(10-17)16-5-4-8-19-16/h4-5,8,11-15H,6-7,9-10,17H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine has a molecular weight of 281.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-thiophen-2-ylethanamine is sourced from PubChem (CID 55020897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).