1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine

C18H33NS — CID 43494313

IUPAC1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1ccc(CC)s1
InChIInChI=1S/C18H33NS/c1-7-11-19-16(12-14(3)13-18(4,5)6)17-10-9-15(8-2)20-17/h9-10,14,16,19H,7-8,11-13H2,1-6H3
InChIKeyROHYUHUAVKCOLC-UHFFFAOYSA-N
MW295.54 g/mol
LogP5.81
Rot. Bonds8

About 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine

1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine (PubChem CID 43494313) has the molecular formula C18H33NS and a molecular weight of 295.54 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
PubChem CID43494313
Molecular FormulaC18H33NS
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC Name1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1ccc(CC)s1
InChIInChI=1S/C18H33NS/c1-7-11-19-16(12-14(3)13-18(4,5)6)17-10-9-15(8-2)20-17/h9-10,14,16,19H,7-8,11-13H2,1-6H3
InChIKeyROHYUHUAVKCOLC-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 55.81
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
3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
CID 63502641
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43496847
3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 43494349
[1-(5-ethylthiophen-2-yl)-3-methylpentyl]hydrazine
CID 105298469
N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479
3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine
CID 104991561
3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857679
1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 63501748
[1-(5-ethylthiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282687
N-[2-(5-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115839298

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine (CID 43494313) is 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine is CCCNC(CC(C)CC(C)(C)C)c1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The InChIKey is ROHYUHUAVKCOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NS/c1-7-11-19-16(12-14(3)13-18(4,5)6)17-10-9-15(8-2)20-17/h9-10,14,16,19H,7-8,11-13H2,1-6H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine has a molecular weight of 295.54 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine is sourced from PubChem (CID 43494313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).