6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine

C14H17N3 — CID 80652152

IUPAC6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine
SMILESCc1ccc(N(C)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C14H17N3/c1-10-7-8-12(11(2)9-10)17(3)14-6-4-5-13(15)16-14/h4-9H,1-3H3,(H2,15,16)
InChIKeyXCFMHLLDLFCKBK-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.05
Rot. Bonds2

About 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine

6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine (PubChem CID 80652152) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine
PubChem CID80652152
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine
SMILESCc1ccc(N(C)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C14H17N3/c1-10-7-8-12(11(2)9-10)17(3)14-6-4-5-13(15)16-14/h4-9H,1-3H3,(H2,15,16)
InChIKeyXCFMHLLDLFCKBK-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine (CID 80652152) is 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine is Cc1ccc(N(C)c2cccc(N)n2)c(C)c1.
What is the InChIKey of 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine?
The InChIKey is XCFMHLLDLFCKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-7-8-12(11(2)9-10)17(3)14-6-4-5-13(15)16-14/h4-9H,1-3H3,(H2,15,16).
What are the key properties of 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine?
6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80652152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).