(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine

C33H48N4 — CID 142511111

IUPAC(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
SMILESC=C(C)/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(C3=CCN(C)CC3)C=CC2=N1.CCC/C=C(/C)C(C)CC
InChIInChI=1S/C23H28N4.C10H20/c1-16(2)17(3)13-21(24-5)22-14-18(4)27-15-20(7-8-23(27)25-22)19-9-11-26(6)12-10-19;1-5-7-8-10(4)9(3)6-2/h7-9,13-15H,1,4,10-12H2,2-3,5-6H3;8-9H,5-7H2,1-4H3/b17-13+,24-21+;10-8-
InChIKeyLSPIYGRMSNBSDU-HOILMHMWSA-N
MW500.78 g/mol
LogP8.19
Rot. Bonds8

About (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine

(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine (PubChem CID 142511111) has the molecular formula C33H48N4 and a molecular weight of 500.78 g/mol. Its IUPAC name is (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
PubChem CID142511111
Molecular FormulaC33H48N4
Molecular Weight500.78 g/mol
Exact Mass500.39
IUPAC Name(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
SMILESC=C(C)/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(C3=CCN(C)CC3)C=CC2=N1.CCC/C=C(/C)C(C)CC
InChIInChI=1S/C23H28N4.C10H20/c1-16(2)17(3)13-21(24-5)22-14-18(4)27-15-20(7-8-23(27)25-22)19-9-11-26(6)12-10-19;1-5-7-8-10(4)9(3)6-2/h7-9,13-15H,1,4,10-12H2,2-3,5-6H3;8-9H,5-7H2,1-4H3/b17-13+,24-21+;10-8-
InChIKeyLSPIYGRMSNBSDU-HOILMHMWSA-N
XLogP8.19
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.78
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine with MolForge

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Related Compounds

4-cyclopropylidene-2-[(2E,4E)-5-fluoro-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylhexyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine
CID 170018229
(E)-1-[4-cyclobutylidene-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
CID 142511335
4-cyclobutylidene-7-(4,5-dimethylazocan-1-yl)-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]pyrido[1,2-a]pyrimidine
CID 142511366
N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide
CID 91419634
(7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine
CID 91539516
N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
CID 91598723
(E)-1-[4-cyclobutylidene-7-(4-cyclopropyl-3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142510965
(E)-1-[4-cyclobutylidene-7-(3,4-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142510973
1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-amine;(Z)-3,4-dimethyloct-4-ene
CID 142510996
3-[(4E)-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-4-propylidenepyrido[1,2-a]pyrimidin-7-yl]prop-2-yn-1-amine;(Z)-3,4-dimethyloct-4-ene
CID 142511023
(E)-1-[4-cyclobutylidene-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511027
(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511030

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine?
The IUPAC name of (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine (CID 142511111) is (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine.
What is the SMILES notation for (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine?
The canonical SMILES for (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine is C=C(C)/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(C3=CCN(C)CC3)C=CC2=N1.CCC/C=C(/C)C(C)CC.
What is the InChIKey of (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine?
The InChIKey is LSPIYGRMSNBSDU-HOILMHMWSA-N. The full InChI is InChI=1S/C23H28N4.C10H20/c1-16(2)17(3)13-21(24-5)22-14-18(4)27-15-20(7-8-23(27)25-22)19-9-11-26(6)12-10-19;1-5-7-8-10(4)9(3)6-2/h7-9,13-15H,1,4,10-12H2,2-3,5-6H3;8-9H,5-7H2,1-4H3/b17-13+,24-21+;10-8-.
What are the key properties of (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine?
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine has a molecular weight of 500.78 g/mol, XLogP of 8.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine is sourced from PubChem (CID 142511111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).