2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine

C13H19N3S — CID 113284061

IUPAC2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1nccc2sccc12
InChIInChI=1S/C13H19N3S/c1-9(2)13(3,8-14)16-12-10-5-7-17-11(10)4-6-15-12/h4-7,9H,8,14H2,1-3H3,(H,15,16)
InChIKeyTURMPELFKLQUGD-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.08
Rot. Bonds4

About 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine

2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine (PubChem CID 113284061) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine
PubChem CID113284061
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1nccc2sccc12
InChIInChI=1S/C13H19N3S/c1-9(2)13(3,8-14)16-12-10-5-7-17-11(10)4-6-15-12/h4-7,9H,8,14H2,1-3H3,(H,15,16)
InChIKeyTURMPELFKLQUGD-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine (CID 113284061) is 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine is CC(C)C(C)(CN)Nc1nccc2sccc12.
What is the InChIKey of 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine?
The InChIKey is TURMPELFKLQUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)13(3,8-14)16-12-10-5-7-17-11(10)4-6-15-12/h4-7,9H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine?
2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine has a molecular weight of 249.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine is sourced from PubChem (CID 113284061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).