N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine

C11H18BrNS — CID 115609606

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS/c1-4-7-11(2,3)13-8-9-5-6-10(12)14-9/h5-6,13H,4,7-8H2,1-3H3
InChIKeyKIQXQFHWNIFCTE-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.18
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine

N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine (PubChem CID 115609606) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
PubChem CID115609606
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS/c1-4-7-11(2,3)13-8-9-5-6-10(12)14-9/h5-6,13H,4,7-8H2,1-3H3
InChIKeyKIQXQFHWNIFCTE-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 115621660
2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
CID 78969414
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride
CID 115618450
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
2-N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929224
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106723329
2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 61265834
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422
N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859642

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine (CID 115609606) is N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine is CCCC(C)(C)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine?
The InChIKey is KIQXQFHWNIFCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-4-7-11(2,3)13-8-9-5-6-10(12)14-9/h5-6,13H,4,7-8H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine has a molecular weight of 276.24 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine is sourced from PubChem (CID 115609606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).