3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine

C14H18N2S — CID 113297740

IUPAC3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine
SMILESCN(C)c1cccc(NCCc2ccsc2)c1
InChIInChI=1S/C14H18N2S/c1-16(2)14-5-3-4-13(10-14)15-8-6-12-7-9-17-11-12/h3-5,7,9-11,15H,6,8H2,1-2H3
InChIKeyPYLBUCPLFSUBFO-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.47
Rot. Bonds5

About 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine (PubChem CID 113297740) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine
PubChem CID113297740
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine
SMILESCN(C)c1cccc(NCCc2ccsc2)c1
InChIInChI=1S/C14H18N2S/c1-16(2)14-5-3-4-13(10-14)15-8-6-12-7-9-17-11-12/h3-5,7,9-11,15H,6,8H2,1-2H3
InChIKeyPYLBUCPLFSUBFO-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine (CID 113297740) is 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine is CN(C)c1cccc(NCCc2ccsc2)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine?
The InChIKey is PYLBUCPLFSUBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-16(2)14-5-3-4-13(10-14)15-8-6-12-7-9-17-11-12/h3-5,7,9-11,15H,6,8H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine has a molecular weight of 246.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 113297740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).