3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine

C11H15NS — CID 65171855

IUPAC3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine
SMILESNC1C=C(Cc2cccs2)CCC1
InChIInChI=1S/C11H15NS/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h2,5-7,10H,1,3-4,8,12H2
InChIKeyAHMYKLPNYCTXOY-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.73
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine

3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 65171855) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine
PubChem CID65171855
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine
SMILESNC1C=C(Cc2cccs2)CCC1
InChIInChI=1S/C11H15NS/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h2,5-7,10H,1,3-4,8,12H2
InChIKeyAHMYKLPNYCTXOY-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine (CID 65171855) is 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine is NC1C=C(Cc2cccs2)CCC1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is AHMYKLPNYCTXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h2,5-7,10H,1,3-4,8,12H2.
What are the key properties of 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine?
3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 65171855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).