(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine

C20H34N4 — CID 166548434

IUPAC(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine
SMILESC/C=c1\c(C)nnc(C)\c1=C\C(=C\CC)NC.CN1CCCCC1
InChIInChI=1S/C14H21N3.C6H13N/c1-6-8-12(15-5)9-14-11(4)17-16-10(3)13(14)7-2;1-7-5-3-2-4-6-7/h7-9,15H,6H2,1-5H3;2-6H2,1H3/b12-8-,13-7+,14-9-;
InChIKeyXBBCSFWYPSRCDS-NXZIGLIOSA-N
MW330.52 g/mol
LogP2.29
Rot. Bonds3

About (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine

(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine (PubChem CID 166548434) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine.

Molecular Properties

Compound Name(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine
PubChem CID166548434
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine
SMILESC/C=c1\c(C)nnc(C)\c1=C\C(=C\CC)NC.CN1CCCCC1
InChIInChI=1S/C14H21N3.C6H13N/c1-6-8-12(15-5)9-14-11(4)17-16-10(3)13(14)7-2;1-7-5-3-2-4-6-7/h7-9,15H,6H2,1-5H3;2-6H2,1H3/b12-8-,13-7+,14-9-;
InChIKeyXBBCSFWYPSRCDS-NXZIGLIOSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dimethylidene-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91024706
1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine
CID 134364137
6-Ethanimidoyl-4-[1-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methylamino]ethenyl]cyclohexa-1,3-dien-1-amine
CID 134567417
2-N-ethyl-4-[4-[ethyl(propan-2-yl)amino]cyclohexa-1,3-dien-1-yl]imino-5-piperidin-1-ylcyclohexa-2,5-diene-1,2-diamine
CID 138512039
1-[(6-ethylimino-5-methylidene-3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]-N-[(Z)-pent-3-en-2-yl]piperidin-4-amine
CID 139420046
N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine;propane
CID 143221297
3-[(2E,4Z,6Z)-3-methyl-1-piperidin-1-ylocta-2,4,6-trien-2-yl]imino-N-propylpent-1-en-2-amine
CID 143721682
(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine
CID 166548544
(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine
CID 166548665
(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(4-propan-2-ylpiperazin-1-yl)pent-2-enylidene]pyridazin-3-amine
CID 166548710
(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine
CID 166548813
N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine
CID 166548829

Frequently Asked Questions

What is the IUPAC name of (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine?
The IUPAC name of (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine (CID 166548434) is (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine.
What is the SMILES notation for (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine?
The canonical SMILES for (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine is C/C=c1\c(C)nnc(C)\c1=C\C(=C\CC)NC.CN1CCCCC1.
What is the InChIKey of (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine?
The InChIKey is XBBCSFWYPSRCDS-NXZIGLIOSA-N. The full InChI is InChI=1S/C14H21N3.C6H13N/c1-6-8-12(15-5)9-14-11(4)17-16-10(3)13(14)7-2;1-7-5-3-2-4-6-7/h7-9,15H,6H2,1-5H3;2-6H2,1H3/b12-8-,13-7+,14-9-;.
What are the key properties of (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine?
(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine has a molecular weight of 330.52 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine is sourced from PubChem (CID 166548434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).