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

C13H17N3S — CID 43707843

IUPAC2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
SMILESCC(Nc1cccnc1N(C)C)c1cccs1
InChIInChI=1S/C13H17N3S/c1-10(12-7-5-9-17-12)15-11-6-4-8-14-13(11)16(2)3/h4-10,15H,1-3H3
InChIKeyXUNQNMQGGYWNDZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.38
Rot. Bonds4

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

2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine (PubChem CID 43707843) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
PubChem CID43707843
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
SMILESCC(Nc1cccnc1N(C)C)c1cccs1
InChIInChI=1S/C13H17N3S/c1-10(12-7-5-9-17-12)15-11-6-4-8-14-13(11)16(2)3/h4-10,15H,1-3H3
InChIKeyXUNQNMQGGYWNDZ-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[1-(3-bromothiophen-2-yl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784239
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
2-N,2-N-dimethyl-3-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2,3-diamine
CID 43707985
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
2-N,2-N-dimethyl-3-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 43707902
3-N-(1,1-difluoropropan-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 102868575
3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707770
2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
CID 43707765
3-N-[1-(2,4-dimethylphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707870
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(1-thiophen-2-ylethyl)urea
CID 51081847
5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 54862255
2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
CID 43707996

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine (CID 43707843) is 2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine is CC(Nc1cccnc1N(C)C)c1cccs1.
What is the InChIKey of 2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine?
The InChIKey is XUNQNMQGGYWNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(12-7-5-9-17-12)15-11-6-4-8-14-13(11)16(2)3/h4-10,15H,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine?
2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine has a molecular weight of 247.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine is sourced from PubChem (CID 43707843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).