1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine

C18H31NS — CID 115842424

IUPAC1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(CC)s1)CC1CCCCC1
InChIInChI=1S/C18H31NS/c1-3-12-19-16(13-15-8-6-5-7-9-15)14-18-11-10-17(4-2)20-18/h10-11,15-16,19H,3-9,12-14H2,1-2H3
InChIKeyNUMYTSDNECDQRU-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.19
Rot. Bonds8

About 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine

1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine (PubChem CID 115842424) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
PubChem CID115842424
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(CC)s1)CC1CCCCC1
InChIInChI=1S/C18H31NS/c1-3-12-19-16(13-15-8-6-5-7-9-15)14-18-11-10-17(4-2)20-18/h10-11,15-16,19H,3-9,12-14H2,1-2H3
InChIKeyNUMYTSDNECDQRU-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842387
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine
CID 105024576
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 43494349

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine (CID 115842424) is 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(CC)s1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine?
The InChIKey is NUMYTSDNECDQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-3-12-19-16(13-15-8-6-5-7-9-15)14-18-11-10-17(4-2)20-18/h10-11,15-16,19H,3-9,12-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine?
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine has a molecular weight of 293.52 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 115842424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).