N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine

C13H19N3S — CID 62587629

IUPACN'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
SMILESCC(C)CN(CCN)c1nccc2sccc12
InChIInChI=1S/C13H19N3S/c1-10(2)9-16(7-5-14)13-11-4-8-17-12(11)3-6-15-13/h3-4,6,8,10H,5,7,9,14H2,1-2H3
InChIKeyZKHZVLZEXDDJRL-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.72
Rot. Bonds5

About N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine

N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine (PubChem CID 62587629) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
PubChem CID62587629
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
SMILESCC(C)CN(CCN)c1nccc2sccc12
InChIInChI=1S/C13H19N3S/c1-10(2)9-16(7-5-14)13-11-4-8-17-12(11)3-6-15-13/h3-4,6,8,10H,5,7,9,14H2,1-2H3
InChIKeyZKHZVLZEXDDJRL-UHFFFAOYSA-N
XLogP2.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine (CID 62587629) is N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine is CC(C)CN(CCN)c1nccc2sccc12.
What is the InChIKey of N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
The InChIKey is ZKHZVLZEXDDJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10(2)9-16(7-5-14)13-11-4-8-17-12(11)3-6-15-13/h3-4,6,8,10H,5,7,9,14H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine has a molecular weight of 249.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62587629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).