(2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene

C38H56N4 — CID 142511190

IUPAC(2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
SMILESC=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CC2)N2C=C(C3=CC(C)(C)NC(C)(C)C3)C=CC2=N1.CCC/C=C(/C)C(C)CC
InChIInChI=1S/C28H36N4.C10H20/c1-18(2)19(3)13-23(29-8)24-14-25(20-9-10-20)32-17-21(11-12-26(32)30-24)22-15-27(4,5)31-28(6,7)16-22;1-5-7-8-10(4)9(3)6-2/h11-15,17,31H,1,9-10,16H2,2-8H3;8-9H,5-7H2,1-4H3/b19-13+,29-23+;10-8-
InChIKeyVKJIZVWNNLOVOM-LMGUAIDESA-N
MW568.89 g/mol
LogP9.94
Rot. Bonds8

About (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene

(2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene (PubChem CID 142511190) has the molecular formula C38H56N4 and a molecular weight of 568.89 g/mol. Its IUPAC name is (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene.

Molecular Properties

Compound Name(2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
PubChem CID142511190
Molecular FormulaC38H56N4
Molecular Weight568.89 g/mol
Exact Mass568.45
IUPAC Name(2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
SMILESC=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CC2)N2C=C(C3=CC(C)(C)NC(C)(C)C3)C=CC2=N1.CCC/C=C(/C)C(C)CC
InChIInChI=1S/C28H36N4.C10H20/c1-18(2)19(3)13-23(29-8)24-14-25(20-9-10-20)32-17-21(11-12-26(32)30-24)22-15-27(4,5)31-28(6,7)16-22;1-5-7-8-10(4)9(3)6-2/h11-15,17,31H,1,9-10,16H2,2-8H3;8-9H,5-7H2,1-4H3/b19-13+,29-23+;10-8-
InChIKeyVKJIZVWNNLOVOM-LMGUAIDESA-N
XLogP9.94
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.89
LogP ≤ 59.94
H-Bond Donors ≤ 51
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 (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene 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
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
8-Butyl-6-(4-ethylhept-1-en-2-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)-4-methylidene-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 130183252
butane;(2E)-1-[7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-9-methyl-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511049
4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine;(Z)-3,4-dimethyloct-4-ene
CID 142511081
(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
(2E)-1-[4-cyclopropylidene-7-[(2S,6S)-2,6-dimethylpiperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511148
(E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511150
4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
CID 142511178
3-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpropan-1-amine;(Z)-3,4-dimethyloct-4-ene
CID 142511183
(2E)-1-[4-cyclopropylidene-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511187
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-(9-methyl-4-methylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)penta-2,4-dien-1-imine
CID 142511208

Frequently Asked Questions

What is the IUPAC name of (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene?
The IUPAC name of (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene (CID 142511190) is (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene.
What is the SMILES notation for (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene?
The canonical SMILES for (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene is C=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CC2)N2C=C(C3=CC(C)(C)NC(C)(C)C3)C=CC2=N1.CCC/C=C(/C)C(C)CC.
What is the InChIKey of (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene?
The InChIKey is VKJIZVWNNLOVOM-LMGUAIDESA-N. The full InChI is InChI=1S/C28H36N4.C10H20/c1-18(2)19(3)13-23(29-8)24-14-25(20-9-10-20)32-17-21(11-12-26(32)30-24)22-15-27(4,5)31-28(6,7)16-22;1-5-7-8-10(4)9(3)6-2/h11-15,17,31H,1,9-10,16H2,2-8H3;8-9H,5-7H2,1-4H3/b19-13+,29-23+;10-8-.
What are the key properties of (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene?
(2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene has a molecular weight of 568.89 g/mol, XLogP of 9.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene is sourced from PubChem (CID 142511190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).