1-(3-ethylthiophen-2-yl)hexan-1-amine

C12H21NS — CID 115837119

IUPAC1-(3-ethylthiophen-2-yl)hexan-1-amine
SMILESCCCCCC(N)c1sccc1CC
InChIInChI=1S/C12H21NS/c1-3-5-6-7-11(13)12-10(4-2)8-9-14-12/h8-9,11H,3-7,13H2,1-2H3
InChIKeyBGFSOIQPLOSCDH-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.89
Rot. Bonds6

About 1-(3-ethylthiophen-2-yl)hexan-1-amine

1-(3-ethylthiophen-2-yl)hexan-1-amine (PubChem CID 115837119) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)hexan-1-amine
PubChem CID115837119
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name1-(3-ethylthiophen-2-yl)hexan-1-amine
SMILESCCCCCC(N)c1sccc1CC
InChIInChI=1S/C12H21NS/c1-3-5-6-7-11(13)12-10(4-2)8-9-14-12/h8-9,11H,3-7,13H2,1-2H3
InChIKeyBGFSOIQPLOSCDH-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine
CID 115849809
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105024445
1-thiophen-2-yloctan-1-amine
CID 22115201
1-thiophen-2-ylundecan-1-amine
CID 63414388
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)hexan-1-amine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)hexan-1-amine (CID 115837119) is 1-(3-ethylthiophen-2-yl)hexan-1-amine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)hexan-1-amine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)hexan-1-amine is CCCCCC(N)c1sccc1CC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)hexan-1-amine?
The InChIKey is BGFSOIQPLOSCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-5-6-7-11(13)12-10(4-2)8-9-14-12/h8-9,11H,3-7,13H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)hexan-1-amine?
1-(3-ethylthiophen-2-yl)hexan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)hexan-1-amine is sourced from PubChem (CID 115837119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).