1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine

C16H28BrNS — CID 65448785

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)c1sc(C)cc1Br
InChIInChI=1S/C16H28BrNS/c1-4-6-7-8-9-10-11-15(18-5-2)16-14(17)12-13(3)19-16/h12,15,18H,4-11H2,1-3H3
InChIKeyGYSROQAGZNQBRH-UHFFFAOYSA-N
MW346.38 g/mol
LogP6.22
Rot. Bonds10

About 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine

1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine (PubChem CID 65448785) has the molecular formula C16H28BrNS and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine
PubChem CID65448785
Molecular FormulaC16H28BrNS
Molecular Weight346.38 g/mol
Exact Mass345.11
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)c1sc(C)cc1Br
InChIInChI=1S/C16H28BrNS/c1-4-6-7-8-9-10-11-15(18-5-2)16-14(17)12-13(3)19-16/h12,15,18H,4-11H2,1-3H3
InChIKeyGYSROQAGZNQBRH-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 56.22
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-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 65278886
1-(2,5-dibromo-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752640
1-(2,5-dibromo-4-methylphenyl)-N-ethylnonan-1-amine
CID 81474155
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
1-(3-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65278411
1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
CID 114457699
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine
CID 81474259
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine (CID 65448785) is 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine is CCCCCCCCC(NCC)c1sc(C)cc1Br.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine?
The InChIKey is GYSROQAGZNQBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNS/c1-4-6-7-8-9-10-11-15(18-5-2)16-14(17)12-13(3)19-16/h12,15,18H,4-11H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine?
1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine has a molecular weight of 346.38 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine is sourced from PubChem (CID 65448785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).