(4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine

C18H28N4 — CID 166548919

IUPAC(4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCC(C)(C)CC1
InChIInChI=1S/C18H28N4/c1-7-15-14(3)20-21-17(19-6)16(15)12-13(2)22-10-8-18(4,5)9-11-22/h7,12H,2,8-11H2,1,3-6H3,(H,19,21)/b15-7-,16-12+
InChIKeyJMLYPSJRTFJMDN-ZNIDOYBTSA-N
MW300.45 g/mol
LogP2.04
Rot. Bonds3

About (4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine

(4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (PubChem CID 166548919) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is (4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name(4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
PubChem CID166548919
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name(4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
SMILESC=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCC(C)(C)CC1
InChIInChI=1S/C18H28N4/c1-7-15-14(3)20-21-17(19-6)16(15)12-13(2)22-10-8-18(4,5)9-11-22/h7,12H,2,8-11H2,1,3-6H3,(H,19,21)/b15-7-,16-12+
InChIKeyJMLYPSJRTFJMDN-ZNIDOYBTSA-N
XLogP2.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4E,5E)-5-ethylidene-4-[2-[4-(3-fluoropropyl)piperazin-1-yl]prop-2-enylidene]-N,6-dimethylpyridazin-3-amine
CID 166548511
N-methyl-7-[(2E,4Z)-6-(1-methylpiperidin-4-yl)hepta-2,4,6-trien-3-yl]-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132039311
(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
(4E,5E)-5-ethylidene-N,6-dimethyl-4-[(Z)-2-(4-propan-2-ylpiperazin-1-yl)pent-2-enylidene]pyridazin-3-amine
CID 166548710
(4E,5E)-4-[(Z)-2-(4-cyclopropylpiperazin-1-yl)pent-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine
CID 166548845
(2E)-N,3,4-trimethyl-1-(9-methyl-4-methylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)penta-2,4-dien-1-imine
CID 142511209
(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-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The IUPAC name of (4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine (CID 166548919) is (4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine.
What is the SMILES notation for (4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The canonical SMILES for (4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine is C=C(/C=c1/c(NC)nnc(C)/c1=C/C)N1CCC(C)(C)CC1.
What is the InChIKey of (4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
The InChIKey is JMLYPSJRTFJMDN-ZNIDOYBTSA-N. The full InChI is InChI=1S/C18H28N4/c1-7-15-14(3)20-21-17(19-6)16(15)12-13(2)22-10-8-18(4,5)9-11-22/h7,12H,2,8-11H2,1,3-6H3,(H,19,21)/b15-7-,16-12+.
What are the key properties of (4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine?
(4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine has a molecular weight of 300.45 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-[2-(4,4-dimethylpiperidin-1-yl)prop-2-enylidene]-5-ethylidene-N,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 166548919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).