(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

C41H65N3 — CID 142511132

IUPAC(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
SMILESC=C/C(C)=C/C(=N\C)C(=C/C(C)=C1CC1)/N=C(\C=C/C(=C\C)C1=CCN(CC)CC1)C(C)CC.CCC/C=C(/C)C(C)CC
InChIInChI=1S/C31H45N3.C10H20/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;1-5-7-8-10(4)9(3)6-2/h9,11,15-17,21-22,24H,1,10,12-14,18-20H2,2-8H3;8-9H,5-7H2,1-4H3/b16-15-,23-21+,26-11+,31-22-,32-30+,33-29+;10-8-
InChIKeySKMFWFUFPRLUDO-FRKMZZEASA-N
MW599.99 g/mol
LogP11.60
Rot. Bonds15

About (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

(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 (PubChem CID 142511132) has the molecular formula C41H65N3 and a molecular weight of 599.99 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID142511132
Molecular FormulaC41H65N3
Molecular Weight599.99 g/mol
Exact Mass599.52
IUPAC Name(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
SMILESC=C/C(C)=C/C(=N\C)C(=C/C(C)=C1CC1)/N=C(\C=C/C(=C\C)C1=CCN(CC)CC1)C(C)CC.CCC/C=C(/C)C(C)CC
InChIInChI=1S/C31H45N3.C10H20/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;1-5-7-8-10(4)9(3)6-2/h9,11,15-17,21-22,24H,1,10,12-14,18-20H2,2-8H3;8-9H,5-7H2,1-4H3/b16-15-,23-21+,26-11+,31-22-,32-30+,33-29+;10-8-
InChIKeySKMFWFUFPRLUDO-FRKMZZEASA-N
XLogP11.60
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.99
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
(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
(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
(3E,6Z)-8-cyclobutylidene-5-N,2,3-trimethyl-6-N-[(5Z,7E)-3-methyl-7-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]nona-5,7-dien-4-ylidene]nona-1,3,6-triene-5,6-diimine
CID 170021606
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C/C(C)=C/C(=N\C)C(=C/C(C)=C1CC1)/N=C(\C=C/C(=C\C)C1=CCN(CC)CC1)C(C)CC.CCC/C=C(/C)C(C)CC.
What is the InChIKey of (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?
The InChIKey is SKMFWFUFPRLUDO-FRKMZZEASA-N. The full InChI is InChI=1S/C31H45N3.C10H20/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;1-5-7-8-10(4)9(3)6-2/h9,11,15-17,21-22,24H,1,10,12-14,18-20H2,2-8H3;8-9H,5-7H2,1-4H3/b16-15-,23-21+,26-11+,31-22-,32-30+,33-29+;10-8-.
What are the key properties of (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?
(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 has a molecular weight of 599.99 g/mol, XLogP of 11.60, 15 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,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 is sourced from PubChem (CID 142511132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).