2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine

C14H21NS — CID 63773625

IUPAC2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
SMILESC1=C(CCNCCc2cccs2)CCCC1
InChIInChI=1S/C14H21NS/c1-2-5-13(6-3-1)8-10-15-11-9-14-7-4-12-16-14/h4-5,7,12,15H,1-3,6,8-11H2
InChIKeyWJWBNXBCGYKHNQ-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.77
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine

2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine (PubChem CID 63773625) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
PubChem CID63773625
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
SMILESC1=C(CCNCCc2cccs2)CCCC1
InChIInChI=1S/C14H21NS/c1-2-5-13(6-3-1)8-10-15-11-9-14-7-4-12-16-14/h4-5,7,12,15H,1-3,6,8-11H2
InChIKeyWJWBNXBCGYKHNQ-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634710
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111208223
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113039330
1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol
CID 116660106
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 18196445
2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206598
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630880

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine (CID 63773625) is 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine is C1=C(CCNCCc2cccs2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine?
The InChIKey is WJWBNXBCGYKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-5-13(6-3-1)8-10-15-11-9-14-7-4-12-16-14/h4-5,7,12,15H,1-3,6,8-11H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 63773625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).