N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine

C13H20N2O — CID 83028574

IUPACN-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
SMILESCc1cccc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C13H20N2O/c1-10-5-4-6-12(14-10)15-11-7-8-16-13(2,3)9-11/h4-6,11H,7-9H2,1-3H3,(H,14,15)
InChIKeyRPBGMWKFKFKVOW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.76
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine

N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine (PubChem CID 83028574) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
PubChem CID83028574
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
SMILESCc1cccc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C13H20N2O/c1-10-5-4-6-12(14-10)15-11-7-8-16-13(2,3)9-11/h4-6,11H,7-9H2,1-3H3,(H,14,15)
InChIKeyRPBGMWKFKFKVOW-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine (CID 83028574) is N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine is Cc1cccc(NC2CCOC(C)(C)C2)n1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine?
The InChIKey is RPBGMWKFKFKVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-4-6-12(14-10)15-11-7-8-16-13(2,3)9-11/h4-6,11H,7-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine?
N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine is sourced from PubChem (CID 83028574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).