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

C17H28N4 — CID 166548665

IUPAC(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine
SMILESC1CCNCC1.C=C(/C=c1/c(C)nnc(C)/c1=C/C)NC
InChIInChI=1S/C12H17N3.C5H11N/c1-6-11-9(3)14-15-10(4)12(11)7-8(2)13-5;1-2-4-6-5-3-1/h6-7,13H,2H2,1,3-5H3;6H,1-5H2/b11-6-,12-7-;
InChIKeyDDVZNHOWNWTHBJ-CVLCCZRFSA-N
MW288.44 g/mol
LogP1.17
Rot. Bonds2

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

(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine (PubChem CID 166548665) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is (3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine.

Molecular Properties

Compound Name(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine
PubChem CID166548665
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine
SMILESC1CCNCC1.C=C(/C=c1/c(C)nnc(C)/c1=C/C)NC
InChIInChI=1S/C12H17N3.C5H11N/c1-6-11-9(3)14-15-10(4)12(11)7-8(2)13-5;1-2-4-6-5-3-1/h6-7,13H,2H2,1,3-5H3;6H,1-5H2/b11-6-,12-7-;
InChIKeyDDVZNHOWNWTHBJ-CVLCCZRFSA-N
XLogP1.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-2,3-dihydropyridin-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085531
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CID 90065150
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CID 134364137
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
N-cyclohexa-1,3-dien-1-yl-4-iminocyclohex-2-en-1-amine;ethane
CID 144447312
2-N-[(4-ethanimidoylcyclohexa-1,3-dien-1-yl)methyl]-6-methylhepta-1,6-diene-2,3-diamine
CID 144648298
(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane
CID 145197782
1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
CID 153307387

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine?
The IUPAC name of (3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine (CID 166548665) is (3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine.
What is the SMILES notation for (3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine?
The canonical SMILES for (3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine is C1CCNCC1.C=C(/C=c1/c(C)nnc(C)/c1=C/C)NC.
What is the InChIKey of (3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine?
The InChIKey is DDVZNHOWNWTHBJ-CVLCCZRFSA-N. The full InChI is InChI=1S/C12H17N3.C5H11N/c1-6-11-9(3)14-15-10(4)12(11)7-8(2)13-5;1-2-4-6-5-3-1/h6-7,13H,2H2,1,3-5H3;6H,1-5H2/b11-6-,12-7-;.
What are the key properties of (3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine?
(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine has a molecular weight of 288.44 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine is sourced from PubChem (CID 166548665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).