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

C18H31NS — CID 43494349

IUPAC3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCC1)c1ccc(CC)s1
InChIInChI=1S/C18H31NS/c1-3-14-19-17(18-13-11-16(4-2)20-18)12-10-15-8-6-5-7-9-15/h11,13,15,17,19H,3-10,12,14H2,1-2H3
InChIKeyQJAMBEPDGNDFLG-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.71
Rot. Bonds8

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

3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine (PubChem CID 43494349) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
PubChem CID43494349
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCC1)c1ccc(CC)s1
InChIInChI=1S/C18H31NS/c1-3-14-19-17(18-13-11-16(4-2)20-18)12-10-15-8-6-5-7-9-15/h11,13,15,17,19H,3-10,12,14H2,1-2H3
InChIKeyQJAMBEPDGNDFLG-UHFFFAOYSA-N
XLogP5.71
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 ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-propylpropan-1-amine
CID 80532261
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
1-(cyclopenten-1-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 55196271
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
CID 63431273
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine (CID 43494349) is 3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCCC1)c1ccc(CC)s1.
What is the InChIKey of 3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine?
The InChIKey is QJAMBEPDGNDFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-3-14-19-17(18-13-11-16(4-2)20-18)12-10-15-8-6-5-7-9-15/h11,13,15,17,19H,3-10,12,14H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine?
3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 43494349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).