N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine

C13H17N3S — CID 57418046

IUPACN,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)CCN(c1ccccn1)c1cccs1
InChIInChI=1S/C13H17N3S/c1-15(2)9-10-16(13-7-5-11-17-13)12-6-3-4-8-14-12/h3-8,11H,9-10H2,1-2H3
InChIKeyVQCBAVXIIYKUKZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.84
Rot. Bonds5

About N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine (PubChem CID 57418046) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine
PubChem CID57418046
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)CCN(c1ccccn1)c1cccs1
InChIInChI=1S/C13H17N3S/c1-15(2)9-10-16(13-7-5-11-17-13)12-6-3-4-8-14-12/h3-8,11H,9-10H2,1-2H3
InChIKeyVQCBAVXIIYKUKZ-UHFFFAOYSA-N
XLogP2.84
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine (CID 57418046) is N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine is CN(C)CCN(c1ccccn1)c1cccs1.
What is the InChIKey of N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine?
The InChIKey is VQCBAVXIIYKUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-15(2)9-10-16(13-7-5-11-17-13)12-6-3-4-8-14-12/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine has a molecular weight of 247.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 57418046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).