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

C22H37N5 — CID 166548755

IUPACethane;(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.CC
InChIInChI=1S/C20H31N5.C2H6/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;1-2/h7,9-10H,6,8,11-14H2,1-5H3,(H,21,23);1-2H3/b16-9-,17-7-,18-10+;
InChIKeyRJACMPOFLWWRPC-YPFSPATBSA-N
MW371.57 g/mol
LogP2.37
Rot. Bonds5

About 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

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 (PubChem CID 166548755) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;(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 CID166548755
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC Nameethane;(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.CC
InChIInChI=1S/C20H31N5.C2H6/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;1-2/h7,9-10H,6,8,11-14H2,1-5H3,(H,21,23);1-2H3/b16-9-,17-7-,18-10+;
InChIKeyRJACMPOFLWWRPC-YPFSPATBSA-N
XLogP2.37
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=c1/c(C)nnc(NC)/c1=C/C(=C/CC)N1CC2(CN(CC)C2)C1.CC.
What is the InChIKey of 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?
The InChIKey is RJACMPOFLWWRPC-YPFSPATBSA-N. The full InChI is InChI=1S/C20H31N5.C2H6/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;1-2/h7,9-10H,6,8,11-14H2,1-5H3,(H,21,23);1-2H3/b16-9-,17-7-,18-10+;.
What are the key properties of 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?
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 has a molecular weight of 371.57 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166548755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).