4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine

C11H18BrNS — CID 81022935

IUPAC4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)Cc1sccc1Br
InChIInChI=1S/C11H18BrNS/c1-11(2,5-6-13-3)8-10-9(12)4-7-14-10/h4,7,13H,5-6,8H2,1-3H3
InChIKeyOILHOPKCKOUCFK-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.69
Rot. Bonds5

About 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine

4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine (PubChem CID 81022935) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
PubChem CID81022935
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)Cc1sccc1Br
InChIInChI=1S/C11H18BrNS/c1-11(2,5-6-13-3)8-10-9(12)4-7-14-10/h4,7,13H,5-6,8H2,1-3H3
InChIKeyOILHOPKCKOUCFK-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine with MolForge

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Related Compounds

5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one
CID 64717184
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62725350
5-(3-bromothiophen-2-yl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 80537110
6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
CID 80536931
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148633
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine
CID 79590546
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039628
2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 75525074
2-[2,2-bis(bromomethyl)pentyl]-3-bromothiophene
CID 79453126
1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
CID 65147917

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine (CID 81022935) is 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine is CNCCC(C)(C)Cc1sccc1Br.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is OILHOPKCKOUCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-11(2,5-6-13-3)8-10-9(12)4-7-14-10/h4,7,13H,5-6,8H2,1-3H3.
What are the key properties of 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 81022935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).