2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine

C13H21N3O — CID 106834018

IUPAC2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine
SMILESCC(C)C1CC(NCc2cccnn2)CCO1
InChIInChI=1S/C13H21N3O/c1-10(2)13-8-11(5-7-17-13)14-9-12-4-3-6-15-16-12/h3-4,6,10-11,13-14H,5,7-9H2,1-2H3
InChIKeyFRAAIMWTNIDOKI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds4

About 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine

2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine (PubChem CID 106834018) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine
PubChem CID106834018
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine
SMILESCC(C)C1CC(NCc2cccnn2)CCO1
InChIInChI=1S/C13H21N3O/c1-10(2)13-8-11(5-7-17-13)14-9-12-4-3-6-15-16-12/h3-4,6,10-11,13-14H,5,7-9H2,1-2H3
InChIKeyFRAAIMWTNIDOKI-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
The IUPAC name of 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine (CID 106834018) is 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine.
What is the SMILES notation for 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
The canonical SMILES for 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine is CC(C)C1CC(NCc2cccnn2)CCO1.
What is the InChIKey of 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
The InChIKey is FRAAIMWTNIDOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)13-8-11(5-7-17-13)14-9-12-4-3-6-15-16-12/h3-4,6,10-11,13-14H,5,7-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(pyridazin-3-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106834018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).