(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine

C18H26N4O — CID 166548447

IUPAC(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CC2(COC2)C1
InChIInChI=1S/C18H26N4O/c1-5-7-14(22-9-18(10-22)11-23-12-18)8-16-15(6-2)13(3)20-21-17(16)19-4/h6-8H,5,9-12H2,1-4H3,(H,19,21)/b14-7-,15-6-,16-8+
InChIKeyTUKCHVAVGFMDEO-BDQXNMJASA-N
MW314.43 g/mol
LogP1.03
Rot. Bonds4

About (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine

(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine (PubChem CID 166548447) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine
PubChem CID166548447
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CC2(COC2)C1
InChIInChI=1S/C18H26N4O/c1-5-7-14(22-9-18(10-22)11-23-12-18)8-16-15(6-2)13(3)20-21-17(16)19-4/h6-8H,5,9-12H2,1-4H3,(H,19,21)/b14-7-,15-6-,16-8+
InChIKeyTUKCHVAVGFMDEO-BDQXNMJASA-N
XLogP1.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine?
The IUPAC name of (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine (CID 166548447) is (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine.
What is the SMILES notation for (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine?
The canonical SMILES for (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine is C/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CC2(COC2)C1.
What is the InChIKey of (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine?
The InChIKey is TUKCHVAVGFMDEO-BDQXNMJASA-N. The full InChI is InChI=1S/C18H26N4O/c1-5-7-14(22-9-18(10-22)11-23-12-18)8-16-15(6-2)13(3)20-21-17(16)19-4/h6-8H,5,9-12H2,1-4H3,(H,19,21)/b14-7-,15-6-,16-8+.
What are the key properties of (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine?
(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine has a molecular weight of 314.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pent-2-enylidene]pyridazin-3-amine is sourced from PubChem (CID 166548447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).