2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine

C13H23BrN2S — CID 115133068

IUPAC2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1cc(Br)cs1
InChIInChI=1S/C13H23BrN2S/c1-12(2,11-6-10(14)7-17-11)8-16-13(3,4)9-15-5/h6-7,15-16H,8-9H2,1-5H3
InChIKeyITOJQYCIPVOORJ-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.38
Rot. Bonds6

About 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine

2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115133068) has the molecular formula C13H23BrN2S and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115133068
Molecular FormulaC13H23BrN2S
Molecular Weight319.31 g/mol
Exact Mass318.08
IUPAC Name2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1cc(Br)cs1
InChIInChI=1S/C13H23BrN2S/c1-12(2,11-6-10(14)7-17-11)8-16-13(3,4)9-15-5/h6-7,15-16H,8-9H2,1-5H3
InChIKeyITOJQYCIPVOORJ-UHFFFAOYSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine 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

3-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135077
4-bromo-2-tert-butylthiophene
CID 20594406
3-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-2,2-dimethylpropanenitrile
CID 115234386
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine
CID 115197588
4-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]aniline
CID 115212607
4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine
CID 115149941
(E)-4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-4-oxobut-2-enoic acid
CID 115177350
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203523
2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210070
2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol
CID 82297708
4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-3-hydroxybutanoic acid
CID 115123172
4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 115156184

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115133068) is 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCC(C)(C)c1cc(Br)cs1.
What is the InChIKey of 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is ITOJQYCIPVOORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2S/c1-12(2,11-6-10(14)7-17-11)8-16-13(3,4)9-15-5/h6-7,15-16H,8-9H2,1-5H3.
What are the key properties of 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 319.31 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115133068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).