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

C11H19BrN2S — CID 115136279

IUPAC1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(CCc1cc(Br)cs1)CC(C)(C)N
InChIInChI=1S/C11H19BrN2S/c1-11(2,13)8-14(3)5-4-10-6-9(12)7-15-10/h6-7H,4-5,8,13H2,1-3H3
InChIKeyYVWOLTBKPRHINQ-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.72
Rot. Bonds5

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

1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115136279) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115136279
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC Name1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(CCc1cc(Br)cs1)CC(C)(C)N
InChIInChI=1S/C11H19BrN2S/c1-11(2,13)8-14(3)5-4-10-6-9(12)7-15-10/h6-7H,4-5,8,13H2,1-3H3
InChIKeyYVWOLTBKPRHINQ-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-bromothiophen-2-yl)ethyl-methylamino]-2,2-dimethylpropanenitrile
CID 115234328
N'-[2-(4-bromothiophen-2-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251744
3-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]aniline
CID 115212023
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210042
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol
CID 115239944
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240280
2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide
CID 115152569
N'-[(4-bromothiophen-2-yl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259572
1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136256
4-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropan-2-yl]aniline
CID 80556115
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209426

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115136279) is 1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is CN(CCc1cc(Br)cs1)CC(C)(C)N.
What is the InChIKey of 1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is YVWOLTBKPRHINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-11(2,13)8-14(3)5-4-10-6-9(12)7-15-10/h6-7H,4-5,8,13H2,1-3H3.
What are the key properties of 1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 291.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115136279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).