N-(2,2-dimethyloxan-4-yl)pyridin-4-amine

C12H18N2O — CID 83028490

IUPACN-(2,2-dimethyloxan-4-yl)pyridin-4-amine
SMILESCC1(C)CC(Nc2ccncc2)CCO1
InChIInChI=1S/C12H18N2O/c1-12(2)9-11(5-8-15-12)14-10-3-6-13-7-4-10/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyFLJSJTMZWVLOON-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.45
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)pyridin-4-amine

N-(2,2-dimethyloxan-4-yl)pyridin-4-amine (PubChem CID 83028490) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)pyridin-4-amine
PubChem CID83028490
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(2,2-dimethyloxan-4-yl)pyridin-4-amine
SMILESCC1(C)CC(Nc2ccncc2)CCO1
InChIInChI=1S/C12H18N2O/c1-12(2)9-11(5-8-15-12)14-10-3-6-13-7-4-10/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyFLJSJTMZWVLOON-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.45
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)pyridin-4-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)pyridin-4-amine (CID 83028490) is N-(2,2-dimethyloxan-4-yl)pyridin-4-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)pyridin-4-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)pyridin-4-amine is CC1(C)CC(Nc2ccncc2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)pyridin-4-amine?
The InChIKey is FLJSJTMZWVLOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2)9-11(5-8-15-12)14-10-3-6-13-7-4-10/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-dimethyloxan-4-yl)pyridin-4-amine?
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine has a molecular weight of 206.29 g/mol, XLogP of 2.45, 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)pyridin-4-amine is sourced from PubChem (CID 83028490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).