(3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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

C31H45N3 — CID 142511133

IUPAC(3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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
SMILESC=C/C(C)=C/C(=N\C)C(=C/C(C)=C1CC1)/N=C(\C=C/C(=CC)C1=CCN(CC)CC1)C(C)CC
InChIInChI=1S/C31H45N3/c1-9-23(5)21-30(32-8)31(22-25(7)27-13-14-27)33-29(24(6)10-2)16-15-26(11-3)28-17-19-34(12-4)20-18-28/h9,11,15-17,21-22,24H,1,10,12-14,18-20H2,2-8H3/b16-15-,23-21+,26-11?,31-22-,32-30+,33-29+
InChIKeyLYENJLMMPLFANJ-ZCJKCFPVSA-N
MW459.72 g/mol
LogP7.83
Rot. Bonds11

About (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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

(3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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 (PubChem CID 142511133) has the molecular formula C31H45N3 and a molecular weight of 459.72 g/mol. Its IUPAC name is (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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.

Molecular Properties

Compound Name(3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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
PubChem CID142511133
Molecular FormulaC31H45N3
Molecular Weight459.72 g/mol
Exact Mass459.36
IUPAC Name(3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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
SMILESC=C/C(C)=C/C(=N\C)C(=C/C(C)=C1CC1)/N=C(\C=C/C(=CC)C1=CCN(CC)CC1)C(C)CC
InChIInChI=1S/C31H45N3/c1-9-23(5)21-30(32-8)31(22-25(7)27-13-14-27)33-29(24(6)10-2)16-15-26(11-3)28-17-19-34(12-4)20-18-28/h9,11,15-17,21-22,24H,1,10,12-14,18-20H2,2-8H3/b16-15-,23-21+,26-11?,31-22-,32-30+,33-29+
InChIKeyLYENJLMMPLFANJ-ZCJKCFPVSA-N
XLogP7.83
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.72
LogP ≤ 57.83
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-cyclopropylidene-6-N-[(5Z)-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 with MolForge

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Related Compounds

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CID 90909657
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine
CID 91562929
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
4-[(1Z,3Z)-1-[[(Z)-but-2-enylidene]amino]penta-1,3-dien-2-yl]-N-[(E)-hex-3-en-3-yl]-N-[(E)-pent-1-enyl]cyclohexa-1,5-dien-1-amine
CID 124112768
(E)-4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-N-(5-methylhex-1-en-2-yl)pent-3-en-2-imine
CID 132050890
(3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine
CID 139469089
(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;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane
CID 143756625
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

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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?
The IUPAC name of (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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 (CID 142511133) is (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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.
What is the SMILES notation for (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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?
The canonical SMILES for (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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 is C=C/C(C)=C/C(=N\C)C(=C/C(C)=C1CC1)/N=C(\C=C/C(=CC)C1=CCN(CC)CC1)C(C)CC.
What is the InChIKey of (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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?
The InChIKey is LYENJLMMPLFANJ-ZCJKCFPVSA-N. The full InChI is InChI=1S/C31H45N3/c1-9-23(5)21-30(32-8)31(22-25(7)27-13-14-27)33-29(24(6)10-2)16-15-26(11-3)28-17-19-34(12-4)20-18-28/h9,11,15-17,21-22,24H,1,10,12-14,18-20H2,2-8H3/b16-15-,23-21+,26-11?,31-22-,32-30+,33-29+.
What are the key properties of (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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?
(3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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 has a molecular weight of 459.72 g/mol, XLogP of 7.83, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-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 is sourced from PubChem (CID 142511133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).