(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine

C21H23N — CID 142539028

IUPAC(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine
SMILESC=C(/N=C(/C=C(\C)C(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N/c1-16(2)17(3)15-21(20-13-9-6-10-14-20)22-18(4)19-11-7-5-8-12-19/h5-16H,4H2,1-3H3/b17-15+,22-21-
InChIKeyVYISIQOMZZIAOM-NWKAUVBJSA-N
MW289.42 g/mol
LogP5.75
Rot. Bonds5

About (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine

(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine (PubChem CID 142539028) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine
PubChem CID142539028
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine
SMILESC=C(/N=C(/C=C(\C)C(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N/c1-16(2)17(3)15-21(20-13-9-6-10-14-20)22-18(4)19-11-7-5-8-12-19/h5-16H,4H2,1-3H3/b17-15+,22-21-
InChIKeyVYISIQOMZZIAOM-NWKAUVBJSA-N
XLogP5.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine
CID 134331110
1-ethyl-2-(2-methylphenyl)benzene;(E)-3-[3-(4-methylphenyl)phenyl]-1-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
CID 143905972
(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
CID 166864208
N'-methyl-2-(1-phenylethenylimino)propanimidamide
CID 123327776
(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
CID 12637249
N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine
CID 145243332
(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine
CID 134604866
3-methyl-4-phenylpent-4-en-2-one
CID 130028619
(E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine
CID 156522918
2-methyl-1-phenylpropan-1-one;2-methylprop-2-enoic acid
CID 175602127
(E)-1-[4-(9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaen-9-yl)phenyl]-3-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
CID 144705232

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine?
The IUPAC name of (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine (CID 142539028) is (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine.
What is the SMILES notation for (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine?
The canonical SMILES for (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine is C=C(/N=C(/C=C(\C)C(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine?
The InChIKey is VYISIQOMZZIAOM-NWKAUVBJSA-N. The full InChI is InChI=1S/C21H23N/c1-16(2)17(3)15-21(20-13-9-6-10-14-20)22-18(4)19-11-7-5-8-12-19/h5-16H,4H2,1-3H3/b17-15+,22-21-.
What are the key properties of (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine?
(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine has a molecular weight of 289.42 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine is sourced from PubChem (CID 142539028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).