N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C13H19ClN4O — CID 171586007

IUPACN-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1cc(NC2COC3(CCNCC3)C2)nnc1Cl
InChIInChI=1S/C13H19ClN4O/c1-9-6-11(17-18-12(9)14)16-10-7-13(19-8-10)2-4-15-5-3-13/h6,10,15H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyRXFKFJNQVXPVGM-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.76
Rot. Bonds2

About N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 171586007) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID171586007
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC NameN-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1cc(NC2COC3(CCNCC3)C2)nnc1Cl
InChIInChI=1S/C13H19ClN4O/c1-9-6-11(17-18-12(9)14)16-10-7-13(19-8-10)2-4-15-5-3-13/h6,10,15H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyRXFKFJNQVXPVGM-UHFFFAOYSA-N
XLogP1.76
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 171586007) is N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is Cc1cc(NC2COC3(CCNCC3)C2)nnc1Cl.
What is the InChIKey of N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is RXFKFJNQVXPVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9-6-11(17-18-12(9)14)16-10-7-13(19-8-10)2-4-15-5-3-13/h6,10,15H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 282.77 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methylpyridazin-3-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 171586007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).