N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine

C11H18N2S — CID 79476445

IUPACN'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
SMILESCN(CC=CCN)CCc1cccs1
InChIInChI=1S/C11H18N2S/c1-13(8-3-2-7-12)9-6-11-5-4-10-14-11/h2-5,10H,6-9,12H2,1H3
InChIKeyZUROOCNKWVXKKS-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.74
Rot. Bonds6

About N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine

N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine (PubChem CID 79476445) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
PubChem CID79476445
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
SMILESCN(CC=CCN)CCc1cccs1
InChIInChI=1S/C11H18N2S/c1-13(8-3-2-7-12)9-6-11-5-4-10-14-11/h2-5,10H,6-9,12H2,1H3
InChIKeyZUROOCNKWVXKKS-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-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

N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79494155
N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
CID 79488348
2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
CID 79476605
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80690433
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine?
The IUPAC name of N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine (CID 79476445) is N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine is CN(CC=CCN)CCc1cccs1.
What is the InChIKey of N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine?
The InChIKey is ZUROOCNKWVXKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-13(8-3-2-7-12)9-6-11-5-4-10-14-11/h2-5,10H,6-9,12H2,1H3.
What are the key properties of N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine?
N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine has a molecular weight of 210.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 79476445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).