2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine

C14H23N3S — CID 113488450

IUPAC2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine
SMILESCCCNc1cccc(NCC2CCSCC2)n1
InChIInChI=1S/C14H23N3S/c1-2-8-15-13-4-3-5-14(17-13)16-11-12-6-9-18-10-7-12/h3-5,12H,2,6-11H2,1H3,(H2,15,16,17)
InChIKeyWDQCLLRELNVJRG-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.46
Rot. Bonds6

About 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine

2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine (PubChem CID 113488450) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine
PubChem CID113488450
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine
SMILESCCCNc1cccc(NCC2CCSCC2)n1
InChIInChI=1S/C14H23N3S/c1-2-8-15-13-4-3-5-14(17-13)16-11-12-6-9-18-10-7-12/h3-5,12H,2,6-11H2,1H3,(H2,15,16,17)
InChIKeyWDQCLLRELNVJRG-UHFFFAOYSA-N
XLogP3.46
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine (CID 113488450) is 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine is CCCNc1cccc(NCC2CCSCC2)n1.
What is the InChIKey of 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine?
The InChIKey is WDQCLLRELNVJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-8-15-13-4-3-5-14(17-13)16-11-12-6-9-18-10-7-12/h3-5,12H,2,6-11H2,1H3,(H2,15,16,17).
What are the key properties of 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine?
2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine has a molecular weight of 265.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-6-N-(thian-4-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 113488450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).