2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine

C12H21N3O — CID 66280209

IUPAC2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine
SMILESCCOCCN(CC)c1ncc(C)cc1N
InChIInChI=1S/C12H21N3O/c1-4-15(6-7-16-5-2)12-11(13)8-10(3)9-14-12/h8-9H,4-7,13H2,1-3H3
InChIKeyAPGNNTAWJUPNGV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.84
Rot. Bonds6

About 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine

2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine (PubChem CID 66280209) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine
PubChem CID66280209
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine
SMILESCCOCCN(CC)c1ncc(C)cc1N
InChIInChI=1S/C12H21N3O/c1-4-15(6-7-16-5-2)12-11(13)8-10(3)9-14-12/h8-9H,4-7,13H2,1-3H3
InChIKeyAPGNNTAWJUPNGV-UHFFFAOYSA-N
XLogP1.84
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine (CID 66280209) is 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine is CCOCCN(CC)c1ncc(C)cc1N.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine?
The InChIKey is APGNNTAWJUPNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-15(6-7-16-5-2)12-11(13)8-10(3)9-14-12/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine?
2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 66280209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).