5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine

C14H21NS — CID 65177525

IUPAC5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(CCc2ccsc2)=CC(N)C1
InChIInChI=1S/C14H21NS/c1-14(2)8-12(7-13(15)9-14)4-3-11-5-6-16-10-11/h5-7,10,13H,3-4,8-9,15H2,1-2H3
InChIKeyRUEMEZWPQFKRHA-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.75
Rot. Bonds3

About 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine

5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine (PubChem CID 65177525) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
PubChem CID65177525
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(CCc2ccsc2)=CC(N)C1
InChIInChI=1S/C14H21NS/c1-14(2)8-12(7-13(15)9-14)4-3-11-5-6-16-10-11/h5-7,10,13H,3-4,8-9,15H2,1-2H3
InChIKeyRUEMEZWPQFKRHA-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.75
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

2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine
CID 164646247
3-(3-ethylsulfonylpropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177248
3-[(4-tert-butylphenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 65177028
6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine
CID 63243517
3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene
CID 65176592
5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-amine
CID 79826392
3-ethyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64514105
5,5-dimethyl-3-phenylcyclohex-2-en-1-amine
CID 65176854
3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
CID 116540728
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 79817749

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine (CID 65177525) is 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine is CC1(C)CC(CCc2ccsc2)=CC(N)C1.
What is the InChIKey of 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine?
The InChIKey is RUEMEZWPQFKRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-14(2)8-12(7-13(15)9-14)4-3-11-5-6-16-10-11/h5-7,10,13H,3-4,8-9,15H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine?
5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 65177525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).