N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine

C11H17Br2NS — CID 103460897

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C11H17Br2NS/c1-4-11(2,3)7-14-6-8-5-9(12)10(13)15-8/h5,14H,4,6-7H2,1-3H3
InChIKeyBLHYQTHFZYJDRP-UHFFFAOYSA-N
MW355.14 g/mol
LogP4.80
Rot. Bonds5

About N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine (PubChem CID 103460897) has the molecular formula C11H17Br2NS and a molecular weight of 355.14 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
PubChem CID103460897
Molecular FormulaC11H17Br2NS
Molecular Weight355.14 g/mol
Exact Mass352.94
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C11H17Br2NS/c1-4-11(2,3)7-14-6-8-5-9(12)10(13)15-8/h5,14H,4,6-7H2,1-3H3
InChIKeyBLHYQTHFZYJDRP-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106252242
3-[(4-bromo-5-methoxythiophen-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115750489
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103698467
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 103527434
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103698815
N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830644
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 102836218
(4,5-dibromothiophen-2-yl)methylhydrazine
CID 80536373
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
CID 102837054
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460661

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine (CID 103460897) is N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCc1cc(Br)c(Br)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is BLHYQTHFZYJDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Br2NS/c1-4-11(2,3)7-14-6-8-5-9(12)10(13)15-8/h5,14H,4,6-7H2,1-3H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 355.14 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103460897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).