2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine

C14H17N3 — CID 55207910

IUPAC2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine
SMILESCc1cc(C)cc(N(C)c2ncccc2N)c1
InChIInChI=1S/C14H17N3/c1-10-7-11(2)9-12(8-10)17(3)14-13(15)5-4-6-16-14/h4-9H,15H2,1-3H3
InChIKeyXHSOTPLQAGYWEL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.05
Rot. Bonds2

About 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine

2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine (PubChem CID 55207910) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine
PubChem CID55207910
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine
SMILESCc1cc(C)cc(N(C)c2ncccc2N)c1
InChIInChI=1S/C14H17N3/c1-10-7-11(2)9-12(8-10)17(3)14-13(15)5-4-6-16-14/h4-9H,15H2,1-3H3
InChIKeyXHSOTPLQAGYWEL-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 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine (CID 55207910) is 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine is Cc1cc(C)cc(N(C)c2ncccc2N)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine?
The InChIKey is XHSOTPLQAGYWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-7-11(2)9-12(8-10)17(3)14-13(15)5-4-6-16-14/h4-9H,15H2,1-3H3.
What are the key properties of 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine?
2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-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 2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 55207910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).