N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine

C12H21ClN2S — CID 106046261

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCc1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-3-15(4-2)10-9-14-8-7-11-5-6-12(13)16-11/h5-6,14H,3-4,7-10H2,1-2H3
InChIKeyGIVNHINQLUDIAD-UHFFFAOYSA-N
MW260.83 g/mol
LogP2.88
Rot. Bonds8

About N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 106046261) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID106046261
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCc1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-3-15(4-2)10-9-14-8-7-11-5-6-12(13)16-11/h5-6,14H,3-4,7-10H2,1-2H3
InChIKeyGIVNHINQLUDIAD-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-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

N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
CID 106046471
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 106046390
5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
CID 106046424
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353
N-[[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 29047393
ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 114139314
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
CID 106046541
2-(5-chlorothiophen-2-yl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 114140350

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine (CID 106046261) is N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is GIVNHINQLUDIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-3-15(4-2)10-9-14-8-7-11-5-6-12(13)16-11/h5-6,14H,3-4,7-10H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 260.83 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 106046261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).