2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane

C17H27N3O — CID 97385684

IUPAC2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane
SMILESCc1ccc(N2CCC3(CC2)CC(OCC(C)C)C3)nn1
InChIInChI=1S/C17H27N3O/c1-13(2)12-21-15-10-17(11-15)6-8-20(9-7-17)16-5-4-14(3)18-19-16/h4-5,13,15H,6-12H2,1-3H3
InChIKeyJQVVUUUYKMJUEJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.21
Rot. Bonds4

About 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane

2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane (PubChem CID 97385684) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane
PubChem CID97385684
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane
SMILESCc1ccc(N2CCC3(CC2)CC(OCC(C)C)C3)nn1
InChIInChI=1S/C17H27N3O/c1-13(2)12-21-15-10-17(11-15)6-8-20(9-7-17)16-5-4-14(3)18-19-16/h4-5,13,15H,6-12H2,1-3H3
InChIKeyJQVVUUUYKMJUEJ-UHFFFAOYSA-N
XLogP3.21
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane (CID 97385684) is 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane is Cc1ccc(N2CCC3(CC2)CC(OCC(C)C)C3)nn1.
What is the InChIKey of 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane?
The InChIKey is JQVVUUUYKMJUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)12-21-15-10-17(11-15)6-8-20(9-7-17)16-5-4-14(3)18-19-16/h4-5,13,15H,6-12H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane?
2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane has a molecular weight of 289.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97385684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).