1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine

C15H25NS — CID 65414532

IUPAC1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCC1CCCC(C(N)CCc2cccs2)C1
InChIInChI=1S/C15H25NS/c1-2-12-5-3-6-13(11-12)15(16)9-8-14-7-4-10-17-14/h4,7,10,12-13,15H,2-3,5-6,8-9,11,16H2,1H3
InChIKeyHVBBMGZPFZEBGS-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.22
Rot. Bonds5

About 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine

1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 65414532) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID65414532
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCC1CCCC(C(N)CCc2cccs2)C1
InChIInChI=1S/C15H25NS/c1-2-12-5-3-6-13(11-12)15(16)9-8-14-7-4-10-17-14/h4,7,10,12-13,15H,2-3,5-6,8-9,11,16H2,1H3
InChIKeyHVBBMGZPFZEBGS-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
1-(2-methylcyclopropyl)-3-thiophen-2-ylpropan-1-amine
CID 65422765
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
[1-(3-ethylcyclopentyl)-2-thiophen-2-ylethyl]hydrazine
CID 105233652
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
1-(3-ethylcyclohexyl)-3-methylsulfonylpropan-1-amine
CID 65415549
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476
1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861130
(1-cyclopropyl-1-ethoxy-4-thiophen-2-ylbutan-2-yl)hydrazine
CID 105273036
1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105147200
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine (CID 65414532) is 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine is CCC1CCCC(C(N)CCc2cccs2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is HVBBMGZPFZEBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-2-12-5-3-6-13(11-12)15(16)9-8-14-7-4-10-17-14/h4,7,10,12-13,15H,2-3,5-6,8-9,11,16H2,1H3.
What are the key properties of 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine?
1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 65414532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).