2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine

C12H21N3O2 — CID 113286561

IUPAC2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine
SMILESCCOCCN(CC)c1nc(OC)ccc1N
InChIInChI=1S/C12H21N3O2/c1-4-15(8-9-17-5-2)12-10(13)6-7-11(14-12)16-3/h6-7H,4-5,8-9,13H2,1-3H3
InChIKeyGVVOEVZDLCVGNH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.54
Rot. Bonds7

About 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine

2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine (PubChem CID 113286561) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine
PubChem CID113286561
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine
SMILESCCOCCN(CC)c1nc(OC)ccc1N
InChIInChI=1S/C12H21N3O2/c1-4-15(8-9-17-5-2)12-10(13)6-7-11(14-12)16-3/h6-7H,4-5,8-9,13H2,1-3H3
InChIKeyGVVOEVZDLCVGNH-UHFFFAOYSA-N
XLogP1.54
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine
CID 115320592
2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine
CID 66280209
2-[(3-amino-6-methoxy-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 115320588
2-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 115320620
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 113286494
6-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 115320609
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
6-N-(2-ethoxyethyl)-6-N-ethylpyridine-2,6-diamine
CID 80653424
6-methoxy-2-N-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 115320824
4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine
CID 63695941
6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine
CID 63698064
2-[(3-amino-6-methoxy-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 113286418

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine (CID 113286561) is 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine is CCOCCN(CC)c1nc(OC)ccc1N.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine?
The InChIKey is GVVOEVZDLCVGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15(8-9-17-5-2)12-10(13)6-7-11(14-12)16-3/h6-7H,4-5,8-9,13H2,1-3H3.
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine?
2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 113286561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).