N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine

C17H26N4 — CID 166548829

IUPACN-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine
SMILESC=C(/C=c1/c(C)nnc(C)/c1=C/C)N(C)C1CCNCC1
InChIInChI=1S/C17H26N4/c1-6-16-13(3)19-20-14(4)17(16)11-12(2)21(5)15-7-9-18-10-8-15/h6,11,15,18H,2,7-10H2,1,3-5H3/b16-6-,17-11-
InChIKeyLXJBOBBJHPAGBG-XMLZMUOZSA-N
MW286.42 g/mol
LogP0.87
Rot. Bonds3

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

N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine (PubChem CID 166548829) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine
PubChem CID166548829
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine
SMILESC=C(/C=c1/c(C)nnc(C)/c1=C/C)N(C)C1CCNCC1
InChIInChI=1S/C17H26N4/c1-6-16-13(3)19-20-14(4)17(16)11-12(2)21(5)15-7-9-18-10-8-15/h6,11,15,18H,2,7-10H2,1,3-5H3/b16-6-,17-11-
InChIKeyLXJBOBBJHPAGBG-XMLZMUOZSA-N
XLogP0.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5Z,6E)-6-(aminomethylidene)-3-(6-ethyl-5-fluoro-2,3-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085515
3-[3-[[4-(2-aminoethyl)-1-methyl-7aH-pyrazolo[4,3-c]pyridin-2-yl]methyl]-1,2-dihydropyridin-6-yl]-N-fluoropropan-1-amine
CID 132195040
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
7-Piperidin-4-yl-7-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-amine
CID 123779829
1-[(1Z,2E)-5-(3-aminocyclopropen-1-yl)-1-hydrazinylidene-4-methylidenehexa-2,5-dien-3-yl]-N-methylpiperidin-3-amine
CID 137513298
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-[[(3E)-4-methylidene-3-prop-2-enylidene-2-pyridinyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 143113282
N-[(3-amino-4-iminocyclohexa-1,5-dien-1-yl)methyl]-1-propylpiperidin-4-amine;propane
CID 143221297
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
1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
CID 153307387
CID 156841309
CID 156841309

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine (CID 166548829) is N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine is C=C(/C=c1/c(C)nnc(C)/c1=C/C)N(C)C1CCNCC1.
What is the InChIKey of N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine?
The InChIKey is LXJBOBBJHPAGBG-XMLZMUOZSA-N. The full InChI is InChI=1S/C17H26N4/c1-6-16-13(3)19-20-14(4)17(16)11-12(2)21(5)15-7-9-18-10-8-15/h6,11,15,18H,2,7-10H2,1,3-5H3/b16-6-,17-11-.
What are the key properties of N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine?
N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 166548829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).