1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane

C38H59FN4 — CID 142492318

IUPAC1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane
SMILESC=C1C(C)=CC(c2cc(F)c(/C=C(\C)N3CCC(N(C)C)CC3)c(CC=CCCC)c2)=NN1/C=C(/C)C(C)CC.CCC
InChIInChI=1S/C35H51FN4.C3H8/c1-10-12-13-14-15-30-22-31(35-20-26(4)29(7)40(37-35)24-27(5)25(3)11-2)23-34(36)33(30)21-28(6)39-18-16-32(17-19-39)38(8)9;1-3-2/h13-14,20-25,32H,7,10-12,15-19H2,1-6,8-9H3;3H2,1-2H3/b14-13?,27-24-,28-21+;
InChIKeyJFRIJDPKVQBQHT-DBPOTJSJSA-N
MW590.92 g/mol
LogP9.96
Rot. Bonds11

About 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane

1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane (PubChem CID 142492318) has the molecular formula C38H59FN4 and a molecular weight of 590.92 g/mol. Its IUPAC name is 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane.

Molecular Properties

Compound Name1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane
PubChem CID142492318
Molecular FormulaC38H59FN4
Molecular Weight590.92 g/mol
Exact Mass590.47
IUPAC Name1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane
SMILESC=C1C(C)=CC(c2cc(F)c(/C=C(\C)N3CCC(N(C)C)CC3)c(CC=CCCC)c2)=NN1/C=C(/C)C(C)CC.CCC
InChIInChI=1S/C35H51FN4.C3H8/c1-10-12-13-14-15-30-22-31(35-20-26(4)29(7)40(37-35)24-27(5)25(3)11-2)23-34(36)33(30)21-28(6)39-18-16-32(17-19-39)38(8)9;1-3-2/h13-14,20-25,32H,7,10-12,15-19H2,1-6,8-9H3;3H2,1-2H3/b14-13?,27-24-,28-21+;
InChIKeyJFRIJDPKVQBQHT-DBPOTJSJSA-N
XLogP9.96
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.92
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane?
The IUPAC name of 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane (CID 142492318) is 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane.
What is the SMILES notation for 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane?
The canonical SMILES for 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane is C=C1C(C)=CC(c2cc(F)c(/C=C(\C)N3CCC(N(C)C)CC3)c(CC=CCCC)c2)=NN1/C=C(/C)C(C)CC.CCC.
What is the InChIKey of 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane?
The InChIKey is JFRIJDPKVQBQHT-DBPOTJSJSA-N. The full InChI is InChI=1S/C35H51FN4.C3H8/c1-10-12-13-14-15-30-22-31(35-20-26(4)29(7)40(37-35)24-27(5)25(3)11-2)23-34(36)33(30)21-28(6)39-18-16-32(17-19-39)38(8)9;1-3-2/h13-14,20-25,32H,7,10-12,15-19H2,1-6,8-9H3;3H2,1-2H3/b14-13?,27-24-,28-21+;.
What are the key properties of 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane?
1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane has a molecular weight of 590.92 g/mol, XLogP of 9.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine;propane is sourced from PubChem (CID 142492318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).