1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine

C19H27NS — CID 43492319

IUPAC1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C19H27NS/c1-2-20-18(13-12-15-8-4-3-5-9-15)17-14-21-19-11-7-6-10-16(17)19/h6-7,10-11,14-15,18,20H,2-5,8-9,12-13H2,1H3
InChIKeyCRUNNSTYTROMOC-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.91
Rot. Bonds6

About 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine

1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine (PubChem CID 43492319) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
PubChem CID43492319
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C19H27NS/c1-2-20-18(13-12-15-8-4-3-5-9-15)17-14-21-19-11-7-6-10-16(17)19/h6-7,10-11,14-15,18,20H,2-5,8-9,12-13H2,1H3
InChIKeyCRUNNSTYTROMOC-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162918
1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 43492293
3-(1-chloro-2-cyclohexylethyl)-1-benzothiophene
CID 55200427
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine
CID 115806692
3-cyclopentyl-N-ethyl-1-thiophen-3-ylpropan-1-amine
CID 104988399
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine (CID 43492319) is 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine is CCNC(CCC1CCCCC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine?
The InChIKey is CRUNNSTYTROMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-2-20-18(13-12-15-8-4-3-5-9-15)17-14-21-19-11-7-6-10-16(17)19/h6-7,10-11,14-15,18,20H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine?
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine is sourced from PubChem (CID 43492319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).