(E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine

C18H23N — CID 126661353

IUPAC(E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine
SMILESC=C(C)C(=C/C)/N=C(C)\C(=C\C)c1ccccc1C
InChIInChI=1S/C18H23N/c1-7-16(17-12-10-9-11-14(17)5)15(6)19-18(8-2)13(3)4/h7-12H,3H2,1-2,4-6H3/b16-7-,18-8-,19-15+
InChIKeyDTHCEIRJKVYBKJ-GPTRJDBWSA-N
MW253.39 g/mol
LogP5.34
Rot. Bonds4

About (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine

(E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine (PubChem CID 126661353) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine
PubChem CID126661353
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name(E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine
SMILESC=C(C)C(=C/C)/N=C(C)\C(=C\C)c1ccccc1C
InChIInChI=1S/C18H23N/c1-7-16(17-12-10-9-11-14(17)5)15(6)19-18(8-2)13(3)4/h7-12H,3H2,1-2,4-6H3/b16-7-,18-8-,19-15+
InChIKeyDTHCEIRJKVYBKJ-GPTRJDBWSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-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

1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
CID 144990301
N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
(E,E)-N-[(3S)-3-methylhept-1-en-2-yl]oxy-3-(2-methylphenyl)pent-3-en-2-imine
CID 145056542
(E)-3-(2-methylphenyl)-2-oxopent-3-enoic acid
CID 143135216
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
3-methyl-2-methylimino-1-(2-methylphenyl)but-3-en-1-one
CID 155106801
1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853
1-[(3Z,5E)-5-ethenyl-2-methylocta-1,3,5,7-tetraen-4-yl]-2-methylbenzene
CID 143924136
1-[4-[4-[(3Z)-5-methyl-4-(2-methylphenyl)hexa-1,3,5-trien-2-yl]phenyl]phenyl]ethanone
CID 145465219

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine?
The IUPAC name of (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine (CID 126661353) is (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine.
What is the SMILES notation for (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine?
The canonical SMILES for (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine is C=C(C)C(=C/C)/N=C(C)\C(=C\C)c1ccccc1C.
What is the InChIKey of (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine?
The InChIKey is DTHCEIRJKVYBKJ-GPTRJDBWSA-N. The full InChI is InChI=1S/C18H23N/c1-7-16(17-12-10-9-11-14(17)5)15(6)19-18(8-2)13(3)4/h7-12H,3H2,1-2,4-6H3/b16-7-,18-8-,19-15+.
What are the key properties of (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine?
(E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine has a molecular weight of 253.39 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-(2-methylphenyl)pent-3-en-2-imine is sourced from PubChem (CID 126661353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).