1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine

C15H23NS — CID 70575894

IUPAC1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine
SMILESCC=C(C)C(N)c1sccc1C1CCCCC1
InChIInChI=1S/C15H23NS/c1-3-11(2)14(16)15-13(9-10-17-15)12-7-5-4-6-8-12/h3,9-10,12,14H,4-8,16H2,1-2H3
InChIKeyLEDYDXURHMYAJJ-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.76
Rot. Bonds3

About 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine

1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine (PubChem CID 70575894) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine
PubChem CID70575894
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine
SMILESCC=C(C)C(N)c1sccc1C1CCCCC1
InChIInChI=1S/C15H23NS/c1-3-11(2)14(16)15-13(9-10-17-15)12-7-5-4-6-8-12/h3,9-10,12,14H,4-8,16H2,1-2H3
InChIKeyLEDYDXURHMYAJJ-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.76
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-cyclopropyl-2-propan-2-ylthiophene
CID 118881618
(1S)-1-[(4S)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-4-yl]ethanamine
CID 129016132
1-(4-cyclohexylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484975
ethyl 3-cyclobutylthiophene-2-carboxylate
CID 165454275
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
1-(5-cyclopentylthiophen-2-yl)ethanamine
CID 83831089
2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988031
1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 63115022
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
CID 116941904
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
CID 107177670

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine?
The IUPAC name of 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine (CID 70575894) is 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine?
The canonical SMILES for 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine is CC=C(C)C(N)c1sccc1C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine?
The InChIKey is LEDYDXURHMYAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-11(2)14(16)15-13(9-10-17-15)12-7-5-4-6-8-12/h3,9-10,12,14H,4-8,16H2,1-2H3.
What are the key properties of 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine?
1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylthiophen-2-yl)-2-methylbut-2-en-1-amine is sourced from PubChem (CID 70575894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).