8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C17H28N4O — CID 118742618

IUPAC8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1ccc(NC2COC3(CCN(CC(C)C)CC3)C2)nn1
InChIInChI=1S/C17H28N4O/c1-13(2)11-21-8-6-17(7-9-21)10-15(12-22-17)18-16-5-4-14(3)19-20-16/h4-5,13,15H,6-12H2,1-3H3,(H,18,20)
InChIKeyZRZVSVRXZHFOAN-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.48
Rot. Bonds4

About 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118742618) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118742618
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1ccc(NC2COC3(CCN(CC(C)C)CC3)C2)nn1
InChIInChI=1S/C17H28N4O/c1-13(2)11-21-8-6-17(7-9-21)10-15(12-22-17)18-16-5-4-14(3)19-20-16/h4-5,13,15H,6-12H2,1-3H3,(H,18,20)
InChIKeyZRZVSVRXZHFOAN-UHFFFAOYSA-N
XLogP2.48
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118742618) is 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is Cc1ccc(NC2COC3(CCN(CC(C)C)CC3)C2)nn1.
What is the InChIKey of 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is ZRZVSVRXZHFOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(2)11-21-8-6-17(7-9-21)10-15(12-22-17)18-16-5-4-14(3)19-20-16/h4-5,13,15H,6-12H2,1-3H3,(H,18,20).
What are the key properties of 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 304.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-N-(6-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118742618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).