1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine

C17H30ClNS — CID 102764036

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine
SMILESCCCCCCCCCC(NCC)c1cc(C)c(Cl)s1
InChIInChI=1S/C17H30ClNS/c1-4-6-7-8-9-10-11-12-15(19-5-2)16-13-14(3)17(18)20-16/h13,15,19H,4-12H2,1-3H3
InChIKeyMTEVLGIAHJUZFU-UHFFFAOYSA-N
MW315.95 g/mol
LogP6.50
Rot. Bonds11

About 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine

1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine (PubChem CID 102764036) has the molecular formula C17H30ClNS and a molecular weight of 315.95 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine
PubChem CID102764036
Molecular FormulaC17H30ClNS
Molecular Weight315.95 g/mol
Exact Mass315.18
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine
SMILESCCCCCCCCCC(NCC)c1cc(C)c(Cl)s1
InChIInChI=1S/C17H30ClNS/c1-4-6-7-8-9-10-11-12-15(19-5-2)16-13-14(3)17(18)20-16/h13,15,19H,4-12H2,1-3H3
InChIKeyMTEVLGIAHJUZFU-UHFFFAOYSA-N
XLogP6.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.95
LogP ≤ 56.50
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-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
CID 115835557
1-(5-chloro-4-methylthiophen-2-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102763898
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyldecan-1-amine
CID 115831829
1-(4,5-dimethylthiophen-2-yl)nonylhydrazine
CID 105294364
1-(4,5-dimethylthiophen-2-yl)decylhydrazine
CID 105293302
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
CID 79991435
N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 43490948

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine (CID 102764036) is 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine is CCCCCCCCCC(NCC)c1cc(C)c(Cl)s1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine?
The InChIKey is MTEVLGIAHJUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNS/c1-4-6-7-8-9-10-11-12-15(19-5-2)16-13-14(3)17(18)20-16/h13,15,19H,4-12H2,1-3H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine?
1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine has a molecular weight of 315.95 g/mol, XLogP of 6.50, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine is sourced from PubChem (CID 102764036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).