5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine

C20H26N2O2 — CID 166382140

IUPAC5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine
SMILESCOc1cc(NC2CC(C)CC(c3ccccc3)C2)cnc1OC
InChIInChI=1S/C20H26N2O2/c1-14-9-16(15-7-5-4-6-8-15)11-17(10-14)22-18-12-19(23-2)20(24-3)21-13-18/h4-8,12-14,16-17,22H,9-11H2,1-3H3
InChIKeyRQVSPYRETBHHBY-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.48
Rot. Bonds5

About 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine

5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine (PubChem CID 166382140) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine.

Molecular Properties

Compound Name5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine
PubChem CID166382140
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine
SMILESCOc1cc(NC2CC(C)CC(c3ccccc3)C2)cnc1OC
InChIInChI=1S/C20H26N2O2/c1-14-9-16(15-7-5-4-6-8-15)11-17(10-14)22-18-12-19(23-2)20(24-3)21-13-18/h4-8,12-14,16-17,22H,9-11H2,1-3H3
InChIKeyRQVSPYRETBHHBY-UHFFFAOYSA-N
XLogP4.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine?
The IUPAC name of 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine (CID 166382140) is 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine.
What is the SMILES notation for 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine?
The canonical SMILES for 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine is COc1cc(NC2CC(C)CC(c3ccccc3)C2)cnc1OC.
What is the InChIKey of 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine?
The InChIKey is RQVSPYRETBHHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-9-16(15-7-5-4-6-8-15)11-17(10-14)22-18-12-19(23-2)20(24-3)21-13-18/h4-8,12-14,16-17,22H,9-11H2,1-3H3.
What are the key properties of 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine?
5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine has a molecular weight of 326.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-(3-methyl-5-phenylcyclohexyl)pyridin-3-amine is sourced from PubChem (CID 166382140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).