(3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine

C33H49N3 — CID 170019794

IUPAC(3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine
SMILESC=C(C)/C(C)=C/C(=N/C)C(=C/C(C)=C1CCC1)/N=C(C(/C)=C\C(=C/C)C1=CCN(C)CC1)\C(C)CC
InChIInChI=1S/C33H49N3/c1-11-24(5)33(27(8)20-28(12-2)30-16-18-36(10)19-17-30)35-32(22-26(7)29-14-13-15-29)31(34-9)21-25(6)23(3)4/h12,16,20-22,24H,3,11,13-15,17-19H2,1-2,4-10H3/b25-21+,27-20-,28-12+,32-22-,34-31-,35-33+
InChIKeyMSDJYYMYBONRQD-IZYVUMIYSA-N
MW487.78 g/mol
LogP8.61
Rot. Bonds10

About (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine

(3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine (PubChem CID 170019794) has the molecular formula C33H49N3 and a molecular weight of 487.78 g/mol. Its IUPAC name is (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine.

Molecular Properties

Compound Name(3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine
PubChem CID170019794
Molecular FormulaC33H49N3
Molecular Weight487.78 g/mol
Exact Mass487.39
IUPAC Name(3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine
SMILESC=C(C)/C(C)=C/C(=N/C)C(=C/C(C)=C1CCC1)/N=C(C(/C)=C\C(=C/C)C1=CCN(C)CC1)\C(C)CC
InChIInChI=1S/C33H49N3/c1-11-24(5)33(27(8)20-28(12-2)30-16-18-36(10)19-17-30)35-32(22-26(7)29-14-13-15-29)31(34-9)21-25(6)23(3)4/h12,16,20-22,24H,3,11,13-15,17-19H2,1-2,4-10H3/b25-21+,27-20-,28-12+,32-22-,34-31-,35-33+
InChIKeyMSDJYYMYBONRQD-IZYVUMIYSA-N
XLogP8.61
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.78
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine with MolForge

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Related Compounds

N-but-2-en-2-yl-N,7,12-trimethyl-3-[1-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethylidene]-4-prop-1-enylhexadeca-1,4,7,9,14-pentaen-8-amine
CID 123173713
(E)-4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-N-(5-methylhex-1-en-2-yl)pent-3-en-2-imine
CID 132050890
N-(2-cyclobutylethyl)-1-[(2E,4Z)-6-[(3Z,6E)-2-cyclobutylidene-7,8-dimethyl-5-methyliminonona-3,6,8-trien-4-yl]imino-5,7-dimethylnona-2,4-dien-3-yl]-N-methylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
CID 142510949
(3E,6Z)-8-cyclopropylidene-6-N-[(5Z,7E)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylnona-5,7-dien-4-ylidene]-5-N,3-dimethylnona-1,3,6-triene-5,6-diimine;(Z)-3,4-dimethyloct-4-ene
CID 142511132
ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
CID 142919844
ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene
CID 145287373
N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane
CID 166548757
1-[(2E,4Z)-6-[(Z)-3-cyclobutylidene-1-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]but-1-enyl]imino-7-methylnona-2,4-dien-3-yl]-N,N-diethylpiperidin-4-amine
CID 170019660
1-[(2E,4Z)-6-[(3Z,6E)-2-cyclobutylidene-7,8-dimethyl-5-methyliminonona-3,6,8-trien-4-yl]imino-7-methylnona-2,4-dien-3-yl]-N,N-diethylpiperidin-4-amine
CID 170019678
(5Z,7E)-N-[(Z)-3-cyclobutylidene-1-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]but-1-enyl]-7-(4-ethylpiperazin-1-yl)-3-methylnona-5,7-dien-4-imine
CID 170020448
(3E,6Z)-8-cyclobutylidene-5-N,2,3-trimethyl-6-N-[(5Z,7E)-3-methyl-7-pyrrolidin-1-ylnona-5,7-dien-4-ylidene]nona-1,3,6-triene-5,6-diimine
CID 170021379
N-[(1Z,3E)-1-[7-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-3-yl]-3,4-dimethyl-4,5-dihydro-3H-azepin-2-yl]penta-1,3-dien-3-yl]-2-methyl-N-propylhexan-1-amine
CID 170021584

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine?
The IUPAC name of (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine (CID 170019794) is (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine.
What is the SMILES notation for (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine?
The canonical SMILES for (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine is C=C(C)/C(C)=C/C(=N/C)C(=C/C(C)=C1CCC1)/N=C(C(/C)=C\C(=C/C)C1=CCN(C)CC1)\C(C)CC.
What is the InChIKey of (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine?
The InChIKey is MSDJYYMYBONRQD-IZYVUMIYSA-N. The full InChI is InChI=1S/C33H49N3/c1-11-24(5)33(27(8)20-28(12-2)30-16-18-36(10)19-17-30)35-32(22-26(7)29-14-13-15-29)31(34-9)21-25(6)23(3)4/h12,16,20-22,24H,3,11,13-15,17-19H2,1-2,4-10H3/b25-21+,27-20-,28-12+,32-22-,34-31-,35-33+.
What are the key properties of (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine?
(3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine has a molecular weight of 487.78 g/mol, XLogP of 8.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine is sourced from PubChem (CID 170019794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).