4-(3,4-dimethylcyclohexyl)-2-methylpyridine

C14H21N — CID 166863584

IUPAC4-(3,4-dimethylcyclohexyl)-2-methylpyridine
SMILESCc1cc(C2CCC(C)C(C)C2)ccn1
InChIInChI=1S/C14H21N/c1-10-4-5-13(8-11(10)2)14-6-7-15-12(3)9-14/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyYFJITLHQZKWMKQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.93
Rot. Bonds1

About 4-(3,4-dimethylcyclohexyl)-2-methylpyridine

4-(3,4-dimethylcyclohexyl)-2-methylpyridine (PubChem CID 166863584) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)-2-methylpyridine.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)-2-methylpyridine
PubChem CID166863584
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-(3,4-dimethylcyclohexyl)-2-methylpyridine
SMILESCc1cc(C2CCC(C)C(C)C2)ccn1
InChIInChI=1S/C14H21N/c1-10-4-5-13(8-11(10)2)14-6-7-15-12(3)9-14/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyYFJITLHQZKWMKQ-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)-2-methylpyridine?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)-2-methylpyridine (CID 166863584) is 4-(3,4-dimethylcyclohexyl)-2-methylpyridine.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)-2-methylpyridine?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)-2-methylpyridine is Cc1cc(C2CCC(C)C(C)C2)ccn1.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)-2-methylpyridine?
The InChIKey is YFJITLHQZKWMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-4-5-13(8-11(10)2)14-6-7-15-12(3)9-14/h6-7,9-11,13H,4-5,8H2,1-3H3.
What are the key properties of 4-(3,4-dimethylcyclohexyl)-2-methylpyridine?
4-(3,4-dimethylcyclohexyl)-2-methylpyridine has a molecular weight of 203.33 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)-2-methylpyridine is sourced from PubChem (CID 166863584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).