(Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine

C24H31N3 — CID 145087043

IUPAC(Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine
SMILESC=CC(C(=C/CC)/C=N/C)=C(C)\N=C(/C)c1cccc(C(=C/C)/C=N/C)c1
InChIInChI=1S/C24H31N3/c1-8-12-23(17-26-7)24(10-3)19(5)27-18(4)21-13-11-14-22(15-21)20(9-2)16-25-6/h9-17H,3,8H2,1-2,4-7H3/b20-9+,23-12+,24-19+,25-16+,26-17+,27-18+
InChIKeyZGQYZCLGKQZVAK-FVOHZLPWSA-N
MW361.53 g/mol
LogP6.10
Rot. Bonds8

About (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine

(Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine (PubChem CID 145087043) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine
PubChem CID145087043
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name(Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine
SMILESC=CC(C(=C/CC)/C=N/C)=C(C)\N=C(/C)c1cccc(C(=C/C)/C=N/C)c1
InChIInChI=1S/C24H31N3/c1-8-12-23(17-26-7)24(10-3)19(5)27-18(4)21-13-11-14-22(15-21)20(9-2)16-25-6/h9-17H,3,8H2,1-2,4-7H3/b20-9+,23-12+,24-19+,25-16+,26-17+,27-18+
InChIKeyZGQYZCLGKQZVAK-FVOHZLPWSA-N
XLogP6.10
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 56.10
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 (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine 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

(2Z,3E)-2-ethylidene-N,4-dimethyl-3-[[1-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]ethylideneamino]methylidene]pent-4-en-1-imine
CID 146245607
(1E)-2-[3-[1-[[(Z,3Z)-3-ethylidene-4-(methyliminomethyl)hex-4-en-2-ylidene]amino]ethenyl]phenyl]-N,N-dimethylbuta-1,3-dien-1-amine
CID 145086693
1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene
CID 145141155
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene
CID 143872310
(Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine
CID 153394318
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene
CID 156839306
(1Z,4Z)-5-N-(3-fluorocyclobutyl)-1-N,1-N-dimethyl-3-methylidene-4-[[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]methylidene]hexa-1,5-diene-1,5-diamine
CID 146245467
(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine
CID 170714570
(2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene
CID 142085794
(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
CID 145153838
1-[(3E,5E)-5-ethenyl-6-methylocta-3,5,7-trien-4-yl]-2-methylbenzene
CID 143863076

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine (CID 145087043) is (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine is C=CC(C(=C/CC)/C=N/C)=C(C)\N=C(/C)c1cccc(C(=C/C)/C=N/C)c1.
What is the InChIKey of (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine?
The InChIKey is ZGQYZCLGKQZVAK-FVOHZLPWSA-N. The full InChI is InChI=1S/C24H31N3/c1-8-12-23(17-26-7)24(10-3)19(5)27-18(4)21-13-11-14-22(15-21)20(9-2)16-25-6/h9-17H,3,8H2,1-2,4-7H3/b20-9+,23-12+,24-19+,25-16+,26-17+,27-18+.
What are the key properties of (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine?
(Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine has a molecular weight of 361.53 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-[(3E)-4-[1-[3-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]ethylideneamino]penta-1,3-dien-3-yl]pent-2-en-1-imine is sourced from PubChem (CID 145087043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).