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

C12H17NS — CID 130595910

IUPAC5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine
SMILESCC1CC(Cc2cccs2)=CC(N)C1
InChIInChI=1S/C12H17NS/c1-9-5-10(7-11(13)6-9)8-12-3-2-4-14-12/h2-4,7,9,11H,5-6,8,13H2,1H3
InChIKeyXOHXYOXPSJEPKI-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.97
Rot. Bonds2

About 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine

5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 130595910) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine
PubChem CID130595910
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine
SMILESCC1CC(Cc2cccs2)=CC(N)C1
InChIInChI=1S/C12H17NS/c1-9-5-10(7-11(13)6-9)8-12-3-2-4-14-12/h2-4,7,9,11H,5-6,8,13H2,1H3
InChIKeyXOHXYOXPSJEPKI-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine
CID 65171855
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
2-[(3-chlorocyclohexen-1-yl)methyl]thiophene
CID 65177226
2-[(3-chlorocyclohepten-1-yl)methyl]thiophene
CID 107383817
6-methyl-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117149200
2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene
CID 170259290
1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
CID 61078130
N-methyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64505657
1-(2-methylcyclopropyl)-3-thiophen-2-ylpropan-1-amine
CID 65422765
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 115214158
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine (CID 130595910) is 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine is CC1CC(Cc2cccs2)=CC(N)C1.
What is the InChIKey of 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is XOHXYOXPSJEPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9-5-10(7-11(13)6-9)8-12-3-2-4-14-12/h2-4,7,9,11H,5-6,8,13H2,1H3.
What are the key properties of 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine?
5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 207.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 130595910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).