2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine

C16H21N3 — CID 115147926

IUPAC2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)c1ccc(C)c(C)c1C
InChIInChI=1S/C16H21N3/c1-10-6-7-15(13(4)12(10)3)19(5)16-11(2)8-14(17)9-18-16/h6-9H,17H2,1-5H3
InChIKeyKKZMYMBQMGESFR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.67
Rot. Bonds2

About 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine

2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine (PubChem CID 115147926) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
PubChem CID115147926
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)c1ccc(C)c(C)c1C
InChIInChI=1S/C16H21N3/c1-10-6-7-15(13(4)12(10)3)19(5)16-11(2)8-14(17)9-18-16/h6-9H,17H2,1-5H3
InChIKeyKKZMYMBQMGESFR-UHFFFAOYSA-N
XLogP3.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine (CID 115147926) is 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine is Cc1cc(N)cnc1N(C)c1ccc(C)c(C)c1C.
What is the InChIKey of 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine?
The InChIKey is KKZMYMBQMGESFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10-6-7-15(13(4)12(10)3)19(5)16-11(2)8-14(17)9-18-16/h6-9H,17H2,1-5H3.
What are the key properties of 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine?
2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine has a molecular weight of 255.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 115147926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).