N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine

C10H17BrN2S — CID 115197440

IUPACN'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)CCc1ccc(Br)s1
InChIInChI=1S/C10H17BrN2S/c1-13(7-2-6-12)8-5-9-3-4-10(11)14-9/h3-4H,2,5-8,12H2,1H3
InChIKeyFDHIRXXWKDUPFB-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.33
Rot. Bonds6

About N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine

N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 115197440) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine
PubChem CID115197440
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC NameN'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)CCc1ccc(Br)s1
InChIInChI=1S/C10H17BrN2S/c1-13(7-2-6-12)8-5-9-3-4-10(11)14-9/h3-4H,2,5-8,12H2,1H3
InChIKeyFDHIRXXWKDUPFB-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-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

methyl 4-[2-(5-bromothiophen-2-yl)ethyl-methylamino]butanoate
CID 115233515
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2,2-trimethylpropanamide
CID 115154760
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide
CID 115152784
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide
CID 115140158
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434
1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203922
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198
3-[[2-(5-bromothiophen-2-yl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248203
N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
CID 115201088
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
methyl 3-[2-(5-bromothiophen-2-yl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233714

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine (CID 115197440) is N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine is CN(CCCN)CCc1ccc(Br)s1.
What is the InChIKey of N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is FDHIRXXWKDUPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-13(7-2-6-12)8-5-9-3-4-10(11)14-9/h3-4H,2,5-8,12H2,1H3.
What are the key properties of N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine?
N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 277.23 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115197440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).