(4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine

C20H31N5 — CID 166548756

IUPAC(4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CC2(CN(CC)C2)C1
InChIInChI=1S/C20H31N5/c1-6-9-16(25-13-20(14-25)11-24(8-3)12-20)10-18-17(7-2)15(4)22-23-19(18)21-5/h7,9-10H,6,8,11-14H2,1-5H3,(H,21,23)/b16-9-,17-7-,18-10+
InChIKeyDDMSCWQIKKZXBU-HTJJRLHVSA-N
MW341.50 g/mol
LogP1.34
Rot. Bonds5

About (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine

(4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (PubChem CID 166548756) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
PubChem CID166548756
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name(4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CC2(CN(CC)C2)C1
InChIInChI=1S/C20H31N5/c1-6-9-16(25-13-20(14-25)11-24(8-3)12-20)10-18-17(7-2)15(4)22-23-19(18)21-5/h7,9-10H,6,8,11-14H2,1-5H3,(H,21,23)/b16-9-,17-7-,18-10+
InChIKeyDDMSCWQIKKZXBU-HTJJRLHVSA-N
XLogP1.34
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine with MolForge

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Related Compounds

(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
(4E,5E)-5-ethylidene-6-methyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine
CID 166548463
(4E,5E)-5-ethylidene-N,6-dimethyl-4-[2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)prop-2-enylidene]pyridazin-3-amine
CID 166548490
ethane;(4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
CID 166548755
(4E,5E)-4-[(Z)-2-(2,2-diethylazetidin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
CID 166548752

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The IUPAC name of (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (CID 166548756) is (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.
What is the SMILES notation for (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The canonical SMILES for (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine is C/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CC2(CN(CC)C2)C1.
What is the InChIKey of (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The InChIKey is DDMSCWQIKKZXBU-HTJJRLHVSA-N. The full InChI is InChI=1S/C20H31N5/c1-6-9-16(25-13-20(14-25)11-24(8-3)12-20)10-18-17(7-2)15(4)22-23-19(18)21-5/h7,9-10H,6,8,11-14H2,1-5H3,(H,21,23)/b16-9-,17-7-,18-10+.
What are the key properties of (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
(4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine has a molecular weight of 341.50 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-[(Z)-2-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 166548756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).