2-(2-thiophen-2-ylcyclohexyl)propan-1-amine

C13H21NS — CID 82242346

IUPAC2-(2-thiophen-2-ylcyclohexyl)propan-1-amine
SMILESCC(CN)C1CCCCC1c1cccs1
InChIInChI=1S/C13H21NS/c1-10(9-14)11-5-2-3-6-12(11)13-7-4-8-15-13/h4,7-8,10-12H,2-3,5-6,9,14H2,1H3
InChIKeyCNOAUMMIKMPBHP-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine

2-(2-thiophen-2-ylcyclohexyl)propan-1-amine (PubChem CID 82242346) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-thiophen-2-ylcyclohexyl)propan-1-amine
PubChem CID82242346
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-(2-thiophen-2-ylcyclohexyl)propan-1-amine
SMILESCC(CN)C1CCCCC1c1cccs1
InChIInChI=1S/C13H21NS/c1-10(9-14)11-5-2-3-6-12(11)13-7-4-8-15-13/h4,7-8,10-12H,2-3,5-6,9,14H2,1H3
InChIKeyCNOAUMMIKMPBHP-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine?
The IUPAC name of 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine (CID 82242346) is 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine.
What is the SMILES notation for 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine?
The canonical SMILES for 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine is CC(CN)C1CCCCC1c1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine?
The InChIKey is CNOAUMMIKMPBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(9-14)11-5-2-3-6-12(11)13-7-4-8-15-13/h4,7-8,10-12H,2-3,5-6,9,14H2,1H3.
What are the key properties of 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine?
2-(2-thiophen-2-ylcyclohexyl)propan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylcyclohexyl)propan-1-amine is sourced from PubChem (CID 82242346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).