N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine

C13H22BrNS — CID 63458496

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine
SMILESCCCCN(Cc1cc(Br)cs1)C(C)CC
InChIInChI=1S/C13H22BrNS/c1-4-6-7-15(11(3)5-2)9-13-8-12(14)10-16-13/h8,10-11H,4-7,9H2,1-3H3
InChIKeyXYAKURSSMDRFJU-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.91
Rot. Bonds7

About N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine

N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine (PubChem CID 63458496) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine
PubChem CID63458496
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine
SMILESCCCCN(Cc1cc(Br)cs1)C(C)CC
InChIInChI=1S/C13H22BrNS/c1-4-6-7-15(11(3)5-2)9-13-8-12(14)10-16-13/h8,10-11H,4-7,9H2,1-3H3
InChIKeyXYAKURSSMDRFJU-UHFFFAOYSA-N
XLogP4.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-(2-chloroethyl)pentan-3-amine
CID 63388175
4-bromo-3-[[butan-2-yl(butyl)amino]methyl]aniline
CID 113281319
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190706
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine
CID 80728083
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine
CID 62412799
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62430100
N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
CID 63464320
N-[(4-bromo-3-nitrophenyl)methyl]-N-butan-2-ylbutan-1-amine
CID 115557705
N'-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N-propylbutane-1,4-diamine
CID 62430992
N'-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 81079439
1-(4-bromothiophen-2-yl)undecan-2-ol
CID 115790163

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine (CID 63458496) is N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine is CCCCN(Cc1cc(Br)cs1)C(C)CC.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine?
The InChIKey is XYAKURSSMDRFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-4-6-7-15(11(3)5-2)9-13-8-12(14)10-16-13/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine?
N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine has a molecular weight of 304.30 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine is sourced from PubChem (CID 63458496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).