N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine

C13H20N2O — CID 79042204

IUPACN-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCOC(C)(C)C1
InChIInChI=1S/C13H20N2O/c1-10-12(5-4-7-14-10)15-11-6-8-16-13(2,3)9-11/h4-5,7,11,15H,6,8-9H2,1-3H3
InChIKeyXZWUESATXSDRRX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.76
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine

N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine (PubChem CID 79042204) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
PubChem CID79042204
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCOC(C)(C)C1
InChIInChI=1S/C13H20N2O/c1-10-12(5-4-7-14-10)15-11-6-8-16-13(2,3)9-11/h4-5,7,11,15H,6,8-9H2,1-3H3
InChIKeyXZWUESATXSDRRX-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine (CID 79042204) is N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine is Cc1ncccc1NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine?
The InChIKey is XZWUESATXSDRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-12(5-4-7-14-10)15-11-6-8-16-13(2,3)9-11/h4-5,7,11,15H,6,8-9H2,1-3H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine?
N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-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)-2-methylpyridin-3-amine is sourced from PubChem (CID 79042204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).