3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine

C15H25NS — CID 70575936

IUPAC3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine
SMILESCCC(C)CNc1sccc1C1CCCCC1
InChIInChI=1S/C15H25NS/c1-3-12(2)11-16-15-14(9-10-17-15)13-7-5-4-6-8-13/h9-10,12-13,16H,3-8,11H2,1-2H3
InChIKeyYUZHJWHLNAVDCX-UHFFFAOYSA-N
MW251.44 g/mol
LogP5.25
Rot. Bonds5

About 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine

3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine (PubChem CID 70575936) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine
PubChem CID70575936
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine
SMILESCCC(C)CNc1sccc1C1CCCCC1
InChIInChI=1S/C15H25NS/c1-3-12(2)11-16-15-14(9-10-17-15)13-7-5-4-6-8-13/h9-10,12-13,16H,3-8,11H2,1-2H3
InChIKeyYUZHJWHLNAVDCX-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine?
The IUPAC name of 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine (CID 70575936) is 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine.
What is the SMILES notation for 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine?
The canonical SMILES for 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine is CCC(C)CNc1sccc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine?
The InChIKey is YUZHJWHLNAVDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-12(2)11-16-15-14(9-10-17-15)13-7-5-4-6-8-13/h9-10,12-13,16H,3-8,11H2,1-2H3.
What are the key properties of 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine?
3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine has a molecular weight of 251.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-methylbutyl)thiophen-2-amine is sourced from PubChem (CID 70575936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).