[8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine

C15H24N4O — CID 146046401

IUPAC[8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine
SMILESCc1cnnc(N2CCC3(CC2)COC(CN)C3)c1C
InChIInChI=1S/C15H24N4O/c1-11-9-17-18-14(12(11)2)19-5-3-15(4-6-19)7-13(8-16)20-10-15/h9,13H,3-8,10,16H2,1-2H3
InChIKeyBAHOTIOCCWKMGT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.43
Rot. Bonds2

About [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine

[8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine (PubChem CID 146046401) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine.

Molecular Properties

Compound Name[8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine
PubChem CID146046401
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine
SMILESCc1cnnc(N2CCC3(CC2)COC(CN)C3)c1C
InChIInChI=1S/C15H24N4O/c1-11-9-17-18-14(12(11)2)19-5-3-15(4-6-19)7-13(8-16)20-10-15/h9,13H,3-8,10,16H2,1-2H3
InChIKeyBAHOTIOCCWKMGT-UHFFFAOYSA-N
XLogP1.43
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine?
The IUPAC name of [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine (CID 146046401) is [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine.
What is the SMILES notation for [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine?
The canonical SMILES for [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine is Cc1cnnc(N2CCC3(CC2)COC(CN)C3)c1C.
What is the InChIKey of [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine?
The InChIKey is BAHOTIOCCWKMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-9-17-18-14(12(11)2)19-5-3-15(4-6-19)7-13(8-16)20-10-15/h9,13H,3-8,10,16H2,1-2H3.
What are the key properties of [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine?
[8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4,5-dimethylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine is sourced from PubChem (CID 146046401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).