N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine

C12H17NS — CID 107906760

IUPACN-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCCc2ccsc2)CCC1
InChIInChI=1S/C12H17NS/c1-2-4-12(5-3-1)13-8-6-11-7-9-14-10-11/h2,4,7,9-10,12-13H,1,3,5-6,8H2
InChIKeyOYKCXQOFXLXBRS-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.99
Rot. Bonds4

About N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine

N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine (PubChem CID 107906760) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
PubChem CID107906760
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCCc2ccsc2)CCC1
InChIInChI=1S/C12H17NS/c1-2-4-12(5-3-1)13-8-6-11-7-9-14-10-11/h2,4,7,9-10,12-13H,1,3,5-6,8H2
InChIKeyOYKCXQOFXLXBRS-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.99
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

4-chloro-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 65023897
2-piperidin-2-yl-N-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 79545243
N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 54953358
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
2,5-dimethyl-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64761702
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine
CID 106401033
1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol
CID 61474115
2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol
CID 107852268
N-methyl-1-[2-(2-thiophen-3-ylethyl)cyclopentyl]methanamine
CID 81034577
1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one
CID 116559357
N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 112570068

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine (CID 107906760) is N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine is C1=CC(NCCc2ccsc2)CCC1.
What is the InChIKey of N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine?
The InChIKey is OYKCXQOFXLXBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-4-12(5-3-1)13-8-6-11-7-9-14-10-11/h2,4,7,9-10,12-13H,1,3,5-6,8H2.
What are the key properties of N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine?
N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine has a molecular weight of 207.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107906760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).