ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine

C16H23N3 — CID 143786948

IUPACethane;2-methanimidoyl-4-methylaniline;4-methylpyridine
SMILESCC.Cc1ccncc1.[H]/N=C/c1cc(C)ccc1N
InChIInChI=1S/C8H10N2.C6H7N.C2H6/c1-6-2-3-8(10)7(4-6)5-9;1-6-2-4-7-5-3-6;1-2/h2-5,9H,10H2,1H3;2-5H,1H3;1-2H3/b9-5+;;
InChIKeyZDJAQJQYQPCEAG-KJDUPKRESA-N
MW257.38 g/mol
LogP3.99
Rot. Bonds1

About ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine

ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine (PubChem CID 143786948) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine.

Molecular Properties

Compound Nameethane;2-methanimidoyl-4-methylaniline;4-methylpyridine
PubChem CID143786948
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Nameethane;2-methanimidoyl-4-methylaniline;4-methylpyridine
SMILESCC.Cc1ccncc1.[H]/N=C/c1cc(C)ccc1N
InChIInChI=1S/C8H10N2.C6H7N.C2H6/c1-6-2-3-8(10)7(4-6)5-9;1-6-2-4-7-5-3-6;1-2/h2-5,9H,10H2,1H3;2-5H,1H3;1-2H3/b9-5+;;
InChIKeyZDJAQJQYQPCEAG-KJDUPKRESA-N
XLogP3.99
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine?
The IUPAC name of ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine (CID 143786948) is ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine.
What is the SMILES notation for ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine?
The canonical SMILES for ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine is CC.Cc1ccncc1.[H]/N=C/c1cc(C)ccc1N.
What is the InChIKey of ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine?
The InChIKey is ZDJAQJQYQPCEAG-KJDUPKRESA-N. The full InChI is InChI=1S/C8H10N2.C6H7N.C2H6/c1-6-2-3-8(10)7(4-6)5-9;1-6-2-4-7-5-3-6;1-2/h2-5,9H,10H2,1H3;2-5H,1H3;1-2H3/b9-5+;;.
What are the key properties of ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine?
ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine has a molecular weight of 257.38 g/mol, XLogP of 3.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine is sourced from PubChem (CID 143786948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).