7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

C17H22N4O2 — CID 134071125

IUPAC7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1ccc(NC2COC3(CCN(Cc4ccco4)C3)C2)nn1
InChIInChI=1S/C17H22N4O2/c1-13-4-5-16(20-19-13)18-14-9-17(23-11-14)6-7-21(12-17)10-15-3-2-8-22-15/h2-5,8,14H,6-7,9-12H2,1H3,(H,18,20)
InChIKeySKMLQUUFVGHLSH-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.22
Rot. Bonds4

About 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 134071125) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID134071125
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1ccc(NC2COC3(CCN(Cc4ccco4)C3)C2)nn1
InChIInChI=1S/C17H22N4O2/c1-13-4-5-16(20-19-13)18-14-9-17(23-11-14)6-7-21(12-17)10-15-3-2-8-22-15/h2-5,8,14H,6-7,9-12H2,1H3,(H,18,20)
InChIKeySKMLQUUFVGHLSH-UHFFFAOYSA-N
XLogP2.22
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5R)-7-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486289
(3S,5S)-N-(3-fluorophenyl)-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97370963
N-(6-methylpyridazin-3-yl)-7-(thiophen-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171686063
(3S,5S)-N-(6-methylpyridazin-3-yl)-9-(thiophen-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371771
N-(6-methylpyridazin-3-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131641336
3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 134074869
(2-methylfuran-3-yl)-[(3R,5S)-3-[(6-methylpyridazin-3-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97489434
(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124520594
9-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 131648640
(4R)-9-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98895334
(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394419
[3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 134074024

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 134071125) is 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is Cc1ccc(NC2COC3(CCN(Cc4ccco4)C3)C2)nn1.
What is the InChIKey of 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is SKMLQUUFVGHLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-4-5-16(20-19-13)18-14-9-17(23-11-14)6-7-21(12-17)10-15-3-2-8-22-15/h2-5,8,14H,6-7,9-12H2,1H3,(H,18,20).
What are the key properties of 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 314.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-N-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 134071125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).