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

C18H28N4 — CID 166548863

IUPACN-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine
SMILESC=C(/C=c1/c(C)nnc(C)/c1=C/C)N(C)C1CCCN(C)C1
InChIInChI=1S/C18H28N4/c1-7-17-14(3)19-20-15(4)18(17)11-13(2)22(6)16-9-8-10-21(5)12-16/h7,11,16H,2,8-10,12H2,1,3-6H3/b17-7-,18-11-
InChIKeyOWPDAOJLJZVTAL-GSGBAIDCSA-N
MW300.45 g/mol
LogP1.21
Rot. Bonds3

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

N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine (PubChem CID 166548863) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine
PubChem CID166548863
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine
SMILESC=C(/C=c1/c(C)nnc(C)/c1=C/C)N(C)C1CCCN(C)C1
InChIInChI=1S/C18H28N4/c1-7-17-14(3)19-20-15(4)18(17)11-13(2)22(6)16-9-8-10-21(5)12-16/h7,11,16H,2,8-10,12H2,1,3-6H3/b17-7-,18-11-
InChIKeyOWPDAOJLJZVTAL-GSGBAIDCSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 71054602
2-(2,10-dihydro-1H-pyrrolo[2,3-c]carbazol-3-yl)-N,N-diethylethanamine
CID 89670415
2-[3,6-Dimethyl-5-[4-(3-methylcyclohexa-1,3-dien-1-yl)piperazin-1-yl]-1-azacyclohepta-2,6,7-trien-2-yl]ethanimine
CID 130320468
3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine
CID 139420053
N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane
CID 145197853
ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
CID 145198032
(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine
CID 166548434
(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
N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine
CID 170073666

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,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine (CID 166548863) is N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine is C=C(/C=c1/c(C)nnc(C)/c1=C/C)N(C)C1CCCN(C)C1.
What is the InChIKey of N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is OWPDAOJLJZVTAL-GSGBAIDCSA-N. The full InChI is InChI=1S/C18H28N4/c1-7-17-14(3)19-20-15(4)18(17)11-13(2)22(6)16-9-8-10-21(5)12-16/h7,11,16H,2,8-10,12H2,1,3-6H3/b17-7-,18-11-.
What are the key properties of N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine?
N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 300.45 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 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,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 166548863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).