6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine

C16H21N3 — CID 115147540

IUPAC6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
SMILESCc1nc(Nc2ccc(CC(C)C)cc2)ccc1N
InChIInChI=1S/C16H21N3/c1-11(2)10-13-4-6-14(7-5-13)19-16-9-8-15(17)12(3)18-16/h4-9,11H,10,17H2,1-3H3,(H,18,19)
InChIKeyFTPHTSUQADGBFA-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.91
Rot. Bonds4

About 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine

6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine (PubChem CID 115147540) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
PubChem CID115147540
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
SMILESCc1nc(Nc2ccc(CC(C)C)cc2)ccc1N
InChIInChI=1S/C16H21N3/c1-11(2)10-13-4-6-14(7-5-13)19-16-9-8-15(17)12(3)18-16/h4-9,11H,10,17H2,1-3H3,(H,18,19)
InChIKeyFTPHTSUQADGBFA-UHFFFAOYSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
The IUPAC name of 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine (CID 115147540) is 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
The canonical SMILES for 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine is Cc1nc(Nc2ccc(CC(C)C)cc2)ccc1N.
What is the InChIKey of 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
The InChIKey is FTPHTSUQADGBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)10-13-4-6-14(7-5-13)19-16-9-8-15(17)12(3)18-16/h4-9,11H,10,17H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine?
6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine is sourced from PubChem (CID 115147540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).