2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine

C12H22N4O — CID 66281077

IUPAC2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine
SMILESCOCCN(C)CCNc1ncc(C)cc1N
InChIInChI=1S/C12H22N4O/c1-10-8-11(13)12(15-9-10)14-4-5-16(2)6-7-17-3/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyAJBDXZGQUXKPIW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.96
Rot. Bonds7

About 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine

2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine (PubChem CID 66281077) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine
PubChem CID66281077
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine
SMILESCOCCN(C)CCNc1ncc(C)cc1N
InChIInChI=1S/C12H22N4O/c1-10-8-11(13)12(15-9-10)14-4-5-16(2)6-7-17-3/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyAJBDXZGQUXKPIW-UHFFFAOYSA-N
XLogP0.96
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine (CID 66281077) is 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine is COCCN(C)CCNc1ncc(C)cc1N.
What is the InChIKey of 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine?
The InChIKey is AJBDXZGQUXKPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-8-11(13)12(15-9-10)14-4-5-16(2)6-7-17-3/h8-9H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine?
2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 66281077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).