6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine

C12H21N3O — CID 80834417

IUPAC6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
SMILESCCOCCN(CC)c1cccc(NC)n1
InChIInChI=1S/C12H21N3O/c1-4-15(9-10-16-5-2)12-8-6-7-11(13-3)14-12/h6-8H,4-5,9-10H2,1-3H3,(H,13,14)
InChIKeyRIUKEHINEJBCCM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds7

About 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine

6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine (PubChem CID 80834417) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
PubChem CID80834417
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
SMILESCCOCCN(CC)c1cccc(NC)n1
InChIInChI=1S/C12H21N3O/c1-4-15(9-10-16-5-2)12-8-6-7-11(13-3)14-12/h6-8H,4-5,9-10H2,1-3H3,(H,13,14)
InChIKeyRIUKEHINEJBCCM-UHFFFAOYSA-N
XLogP1.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.99
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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Related Compounds

6-N-ethyl-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 80809532
6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80754350
6-N-(2-ethoxyethyl)-6-N-ethylpyridine-2,6-diamine
CID 80653424
6-N-[3-(diethylamino)propyl]-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 102998950
6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 80795235
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
6-N-ethyl-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80774981
N,N-bis(2-ethoxyethyl)-6-(methylamino)pyridine-2-carboxamide
CID 82941671
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772027
2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80834593
2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80805603
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
CID 114065673

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine (CID 80834417) is 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine is CCOCCN(CC)c1cccc(NC)n1.
What is the InChIKey of 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine?
The InChIKey is RIUKEHINEJBCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-15(9-10-16-5-2)12-8-6-7-11(13-3)14-12/h6-8H,4-5,9-10H2,1-3H3,(H,13,14).
What are the key properties of 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine?
6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80834417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).