(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine

C27H34N2 — CID 142583750

IUPAC(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=C(Nc1ccc(=C)/c(=C\C(=CC)C2=CCC2)c1)C1=CC(CCCC)=NCC1C
InChIInChI=1S/C27H34N2/c1-6-8-12-25-17-27(20(4)18-28-25)21(5)29-26-14-13-19(3)24(16-26)15-22(7-2)23-10-9-11-23/h7,10,13-17,20,29H,3,5-6,8-9,11-12,18H2,1-2,4H3/b22-7?,24-15-
InChIKeyGWRXLQMOPLMBDP-YKJAGVEHSA-N
MW386.58 g/mol
LogP5.68
Rot. Bonds8

About (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine

(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine (PubChem CID 142583750) has the molecular formula C27H34N2 and a molecular weight of 386.58 g/mol. Its IUPAC name is (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine
PubChem CID142583750
Molecular FormulaC27H34N2
Molecular Weight386.58 g/mol
Exact Mass386.27
IUPAC Name(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=C(Nc1ccc(=C)/c(=C\C(=CC)C2=CCC2)c1)C1=CC(CCCC)=NCC1C
InChIInChI=1S/C27H34N2/c1-6-8-12-25-17-27(20(4)18-28-25)21(5)29-26-14-13-19(3)24(16-26)15-22(7-2)23-10-9-11-23/h7,10,13-17,20,29H,3,5-6,8-9,11-12,18H2,1-2,4H3/b22-7?,24-15-
InChIKeyGWRXLQMOPLMBDP-YKJAGVEHSA-N
XLogP5.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine with MolForge

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Related Compounds

N'-[7-(6-aminohexylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]hexane-1,6-diamine
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(2Z,4Z)-5-cyclohex-2-en-1-yl-1-N-[5-(3,4-dihydro-2H-pyrrol-5-yl)cyclohexa-1,5-dien-1-yl]hepta-2,4-diene-1,4-diamine
CID 89531193
(2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine
CID 91172653
N'-[4-[(6-cyclohexa-1,5-dien-1-ylimino-4-imino-3-methylcyclohex-2-en-1-ylidene)amino]-6-methylcyclohexa-2,4-dien-1-yl]hexane-1,6-diamine
CID 123314455
(3Z,5E)-2-N-[(3Z)-3-butan-2-ylidene-4-methyliminocyclohexa-1,5-dien-1-yl]-6-N-(2,5-dimethylheptan-3-yl)-3-ethenyl-5-methylhepta-1,3,5-triene-2,6-diamine
CID 134187705
(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine
CID 134525287
2-methyl-3-[(3E)-2-(2-methyl-1,2-dihydropyridin-6-yl)-5-prop-1-enylnona-1,3-dien-3-yl]-5-prop-1-en-2-yl-2H-indole
CID 139419064
(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[(E)-2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;ethane;molecular hydrogen;propane
CID 142583749
acetylene;butane;1-N,1-N-dimethyl-4-N-[4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-yl]pent-4-ene-1,4-diamine;ethane;(4Z,5E)-4-ethylidene-N-methylnona-1,5-dien-3-imine;2-methylbut-1-ene;(3Z)-5-propan-2-ylidenedeca-1,3-diene
CID 143367125
3-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-N-ethylbuta-1,3-dien-2-amine;3-ethyl-5-(3-fluorobutyl)-2,3-dihydropyridine;molecular hydrogen;hydrofluoride
CID 144096700
butane;1-cyclobutyl-N-(2-methylprop-2-enyl)ethanimine;1,6-dimethylcyclohexa-1,3-diene;N-[1-(3,4-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]-N'-[(3E)-3-propylhexa-1,3,5-trien-2-yl]propane-1,3-diamine;ethane;methane
CID 144513991
N-tert-butyl-3-[(2Z,5Z)-4-methylidenehepta-2,5-dien-3-yl]iminoocta-1,7-dien-4-amine;ethane;ethene;N-methylpentan-2-amine;prop-1-ene
CID 145351062

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine?
The IUPAC name of (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine (CID 142583750) is (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine is C=C(Nc1ccc(=C)/c(=C\C(=CC)C2=CCC2)c1)C1=CC(CCCC)=NCC1C.
What is the InChIKey of (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine?
The InChIKey is GWRXLQMOPLMBDP-YKJAGVEHSA-N. The full InChI is InChI=1S/C27H34N2/c1-6-8-12-25-17-27(20(4)18-28-25)21(5)29-26-14-13-19(3)24(16-26)15-22(7-2)23-10-9-11-23/h7,10,13-17,20,29H,3,5-6,8-9,11-12,18H2,1-2,4H3/b22-7?,24-15-.
What are the key properties of (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine?
(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine has a molecular weight of 386.58 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142583750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).