N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine

C10H17BrN2S — CID 30326957

IUPACN'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-12(2)4-5-13(3)7-10-6-9(11)8-14-10/h6,8H,4-5,7H2,1-3H3
InChIKeyIMMWVIDURVSCBR-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.50
Rot. Bonds5

About N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 30326957) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID30326957
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC NameN'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-12(2)4-5-13(3)7-10-6-9(11)8-14-10/h6,8H,4-5,7H2,1-3H3
InChIKeyIMMWVIDURVSCBR-UHFFFAOYSA-N
XLogP2.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-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

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 30326957) is N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)Cc1cc(Br)cs1.
What is the InChIKey of N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is IMMWVIDURVSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-12(2)4-5-13(3)7-10-6-9(11)8-14-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 277.23 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromothiophen-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 30326957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).