1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine

C16H27Br2NS — CID 115845955

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine
SMILESCCCCCCCCCCC(NC)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H27Br2NS/c1-3-4-5-6-7-8-9-10-11-14(19-2)15-12-13(17)16(18)20-15/h12,14,19H,3-11H2,1-2H3
InChIKeyFOVABIQSZLGQGC-UHFFFAOYSA-N
MW425.27 g/mol
LogP7.06
Rot. Bonds11

About 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine

1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine (PubChem CID 115845955) has the molecular formula C16H27Br2NS and a molecular weight of 425.27 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine
PubChem CID115845955
Molecular FormulaC16H27Br2NS
Molecular Weight425.27 g/mol
Exact Mass423.02
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine
SMILESCCCCCCCCCCC(NC)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H27Br2NS/c1-3-4-5-6-7-8-9-10-11-14(19-2)15-12-13(17)16(18)20-15/h12,14,19H,3-11H2,1-2H3
InChIKeyFOVABIQSZLGQGC-UHFFFAOYSA-N
XLogP7.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.27
LogP ≤ 57.06
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-(4,5-dibromothiophen-2-yl)decylhydrazine
CID 105293426
1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
CID 79991435
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
1-(4,5-dibromothiophen-2-yl)-N-propylheptan-1-amine
CID 114752623
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
2,3-dibromo-5-(1-bromododecyl)thiophene
CID 80534369
1-(4,5-dibromothiophen-2-yl)octan-1-ol
CID 80535373
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449
1-(2,5-dibromothiophen-3-yl)-N-methyloctan-1-amine
CID 43486900
1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
CID 105294058
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine (CID 115845955) is 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine is CCCCCCCCCCC(NC)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine?
The InChIKey is FOVABIQSZLGQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27Br2NS/c1-3-4-5-6-7-8-9-10-11-14(19-2)15-12-13(17)16(18)20-15/h12,14,19H,3-11H2,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine?
1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine has a molecular weight of 425.27 g/mol, XLogP of 7.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine is sourced from PubChem (CID 115845955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).