2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine

C14H23N3 — CID 83265356

IUPAC2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC2CCC(C)CC2C)cc1N
InChIInChI=1S/C14H23N3/c1-9-4-5-13(10(2)6-9)17-14-7-12(15)11(3)8-16-14/h7-10,13H,4-6H2,1-3H3,(H3,15,16,17)
InChIKeyZOFAVEKQPUQRLW-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds2

About 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine

2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine (PubChem CID 83265356) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
PubChem CID83265356
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC2CCC(C)CC2C)cc1N
InChIInChI=1S/C14H23N3/c1-9-4-5-13(10(2)6-9)17-14-7-12(15)11(3)8-16-14/h7-10,13H,4-6H2,1-3H3,(H3,15,16,17)
InChIKeyZOFAVEKQPUQRLW-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine (CID 83265356) is 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine is Cc1cnc(NC2CCC(C)CC2C)cc1N.
What is the InChIKey of 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine?
The InChIKey is ZOFAVEKQPUQRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-9-4-5-13(10(2)6-9)17-14-7-12(15)11(3)8-16-14/h7-10,13H,4-6H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine?
2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83265356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).