5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine

C9H15N3O — CID 61427416

IUPAC5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(N)nc1
InChIInChI=1S/C9H15N3O/c1-12(5-6-13-2)8-3-4-9(10)11-7-8/h3-4,7H,5-6H2,1-2H3,(H2,10,11)
InChIKeyHHJDARBBDLVPJM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.75
Rot. Bonds4

About 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine

5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine (PubChem CID 61427416) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine
PubChem CID61427416
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(N)nc1
InChIInChI=1S/C9H15N3O/c1-12(5-6-13-2)8-3-4-9(10)11-7-8/h3-4,7H,5-6H2,1-2H3,(H2,10,11)
InChIKeyHHJDARBBDLVPJM-UHFFFAOYSA-N
XLogP0.75
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine (CID 61427416) is 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine is COCCN(C)c1ccc(N)nc1.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine?
The InChIKey is HHJDARBBDLVPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12(5-6-13-2)8-3-4-9(10)11-7-8/h3-4,7H,5-6H2,1-2H3,(H2,10,11).
What are the key properties of 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine?
5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine is sourced from PubChem (CID 61427416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).