1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine

C13H23NS — CID 115837220

IUPAC1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1sccc1CC
InChIInChI=1S/C13H23NS/c1-4-6-7-8-12(14-3)13-11(5-2)9-10-15-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyZRAUPGFRVAJSRM-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.15
Rot. Bonds7

About 1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine

1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine (PubChem CID 115837220) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
PubChem CID115837220
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1sccc1CC
InChIInChI=1S/C13H23NS/c1-4-6-7-8-12(14-3)13-11(5-2)9-10-15-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyZRAUPGFRVAJSRM-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.15
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-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848297
1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
CID 115849879
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
1-(3-bromothiophen-2-yl)-N-methyloctan-1-amine
CID 80534752
1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030584
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
[4-ethylsulfonyl-1-(3-ethylthiophen-2-yl)butyl]hydrazine
CID 105310812
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine (CID 115837220) is 1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine is CCCCCC(NC)c1sccc1CC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine?
The InChIKey is ZRAUPGFRVAJSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-6-7-8-12(14-3)13-11(5-2)9-10-15-13/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine?
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.15, 7 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)-N-methylhexan-1-amine is sourced from PubChem (CID 115837220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).