1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine

C15H25NOS — CID 55021048

IUPAC1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(OC1CCCC(C)C1)c1cccs1
InChIInChI=1S/C15H25NOS/c1-3-13(16)15(14-8-5-9-18-14)17-12-7-4-6-11(2)10-12/h5,8-9,11-13,15H,3-4,6-7,10,16H2,1-2H3
InChIKeyXDTXVNOKGNDHSG-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.12
Rot. Bonds5

About 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine

1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine (PubChem CID 55021048) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine
PubChem CID55021048
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(OC1CCCC(C)C1)c1cccs1
InChIInChI=1S/C15H25NOS/c1-3-13(16)15(14-8-5-9-18-14)17-12-7-4-6-11(2)10-12/h5,8-9,11-13,15H,3-4,6-7,10,16H2,1-2H3
InChIKeyXDTXVNOKGNDHSG-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine (CID 55021048) is 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine is CCC(N)C(OC1CCCC(C)C1)c1cccs1.
What is the InChIKey of 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine?
The InChIKey is XDTXVNOKGNDHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-13(16)15(14-8-5-9-18-14)17-12-7-4-6-11(2)10-12/h5,8-9,11-13,15H,3-4,6-7,10,16H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine?
1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)oxy-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 55021048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).