2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine

C11H20N4O — CID 43260939

IUPAC2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NCCN(C)C)ccc1N
InChIInChI=1S/C11H20N4O/c1-4-16-11-9(12)5-6-10(14-11)13-7-8-15(2)3/h5-6H,4,7-8,12H2,1-3H3,(H,13,14)
InChIKeySHGSEOFLIMHDOZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.04
Rot. Bonds6

About 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine

2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine (PubChem CID 43260939) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
PubChem CID43260939
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NCCN(C)C)ccc1N
InChIInChI=1S/C11H20N4O/c1-4-16-11-9(12)5-6-10(14-11)13-7-8-15(2)3/h5-6H,4,7-8,12H2,1-3H3,(H,13,14)
InChIKeySHGSEOFLIMHDOZ-UHFFFAOYSA-N
XLogP1.04
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine (CID 43260939) is 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine is CCOc1nc(NCCN(C)C)ccc1N.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine?
The InChIKey is SHGSEOFLIMHDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-16-11-9(12)5-6-10(14-11)13-7-8-15(2)3/h5-6H,4,7-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine?
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine is sourced from PubChem (CID 43260939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).