(Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine

C18H21N — CID 160944835

IUPAC(Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine
SMILES[H]/N=C(/C=C(/CC)c1ccccc1C)C1=CC=CCC1
InChIInChI=1S/C18H21N/c1-3-15(17-12-8-7-9-14(17)2)13-18(19)16-10-5-4-6-11-16/h4-5,7-10,12-13,19H,3,6,11H2,1-2H3/b15-13-,19-18-
InChIKeySUZBDRUXBZTBPX-WITMPDRSSA-N
MW251.37 g/mol
LogP5.08
Rot. Bonds4

About (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine

(Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine (PubChem CID 160944835) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine
PubChem CID160944835
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine
SMILES[H]/N=C(/C=C(/CC)c1ccccc1C)C1=CC=CCC1
InChIInChI=1S/C18H21N/c1-3-15(17-12-8-7-9-14(17)2)13-18(19)16-10-5-4-6-11-16/h4-5,7-10,12-13,19H,3,6,11H2,1-2H3/b15-13-,19-18-
InChIKeySUZBDRUXBZTBPX-WITMPDRSSA-N
XLogP5.08
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3E)-5-cyclohexa-1,3-dien-1-yl-5-imino-3-phenylpenta-1,3-dienyl]-1-[4-[4-methyl-3-[2-[2-(1-phenylethenyl)phenyl]propan-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 137295039
1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene
CID 142551291
cyclohexa-1,3-dien-1-yl-(5-methylthiophen-2-yl)methanone;ethane
CID 142848722
(E)-3-(2,3-dimethylphenyl)pent-2-enoic acid
CID 82076954
1-methyl-2-oct-4-en-4-ylbenzene
CID 86019229
cyclohexa-1,3-diene;1,2-xylene
CID 159360183
(1-amino-2-chloroethyl) 2-methylbenzenecarboximidate
CID 90915646
1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene
CID 12531508
cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene
CID 143300739
(E)-1-(2-methylphenyl)prop-1-ene-1-thiol
CID 142259115
2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
CID 517151
[2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium
CID 163487893

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine?
The IUPAC name of (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine (CID 160944835) is (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine.
What is the SMILES notation for (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine?
The canonical SMILES for (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine is [H]/N=C(/C=C(/CC)c1ccccc1C)C1=CC=CCC1.
What is the InChIKey of (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine?
The InChIKey is SUZBDRUXBZTBPX-WITMPDRSSA-N. The full InChI is InChI=1S/C18H21N/c1-3-15(17-12-8-7-9-14(17)2)13-18(19)16-10-5-4-6-11-16/h4-5,7-10,12-13,19H,3,6,11H2,1-2H3/b15-13-,19-18-.
What are the key properties of (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine?
(Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine has a molecular weight of 251.37 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine is sourced from PubChem (CID 160944835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).