2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine

C13H21N3O — CID 106895062

IUPAC2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine
SMILESCCC1(C)CC(NCc2cccnn2)CCO1
InChIInChI=1S/C13H21N3O/c1-3-13(2)9-11(6-8-17-13)14-10-12-5-4-7-15-16-12/h4-5,7,11,14H,3,6,8-10H2,1-2H3
InChIKeyPHMDIZPJQFNOTO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.91
Rot. Bonds4

About 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine

2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine (PubChem CID 106895062) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine
PubChem CID106895062
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine
SMILESCCC1(C)CC(NCc2cccnn2)CCO1
InChIInChI=1S/C13H21N3O/c1-3-13(2)9-11(6-8-17-13)14-10-12-5-4-7-15-16-12/h4-5,7,11,14H,3,6,8-10H2,1-2H3
InChIKeyPHMDIZPJQFNOTO-UHFFFAOYSA-N
XLogP1.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine (CID 106895062) is 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine is CCC1(C)CC(NCc2cccnn2)CCO1.
What is the InChIKey of 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
The InChIKey is PHMDIZPJQFNOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-13(2)9-11(6-8-17-13)14-10-12-5-4-7-15-16-12/h4-5,7,11,14H,3,6,8-10H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106895062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).