(Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene

C21H27N — CID 144956775

IUPAC(Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene
SMILESCc1ccccc1.[H]/N=C/C(=C\C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H19N.C7H8/c1-4-13(10-15)14-7-5-12(6-8-14)9-11(2)3;1-7-5-3-2-4-6-7/h4-8,10-11,15H,9H2,1-3H3;2-6H,1H3/b13-4+,15-10+;
InChIKeySQDBFRXCVHHIML-UILQVMNSSA-N
MW293.45 g/mol
LogP5.93
Rot. Bonds4

About (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene

(Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene (PubChem CID 144956775) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene.

Molecular Properties

Compound Name(Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene
PubChem CID144956775
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name(Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene
SMILESCc1ccccc1.[H]/N=C/C(=C\C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H19N.C7H8/c1-4-13(10-15)14-7-5-12(6-8-14)9-11(2)3;1-7-5-3-2-4-6-7/h4-8,10-11,15H,9H2,1-3H3;2-6H,1H3/b13-4+,15-10+;
InChIKeySQDBFRXCVHHIML-UILQVMNSSA-N
XLogP5.93
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.93
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

(Z)-2-phenylbut-2-en-1-imine;propane
CID 166165004
(Z)-2,4-diphenylbut-2-en-1-imine
CID 144876754
methyl 4-(2-methylpropyl)benzenecarboximidothioate
CID 116827867
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
ethane;2-methylpropylbenzene
CID 162200929
formic acid;2-methylpropylbenzene
CID 162001374
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 144516269
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene?
The IUPAC name of (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene (CID 144956775) is (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene.
What is the SMILES notation for (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene?
The canonical SMILES for (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene is Cc1ccccc1.[H]/N=C/C(=C\C)c1ccc(CC(C)C)cc1.
What is the InChIKey of (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene?
The InChIKey is SQDBFRXCVHHIML-UILQVMNSSA-N. The full InChI is InChI=1S/C14H19N.C7H8/c1-4-13(10-15)14-7-5-12(6-8-14)9-11(2)3;1-7-5-3-2-4-6-7/h4-8,10-11,15H,9H2,1-3H3;2-6H,1H3/b13-4+,15-10+;.
What are the key properties of (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene?
(Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene has a molecular weight of 293.45 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-(2-methylpropyl)phenyl]but-2-en-1-imine;toluene is sourced from PubChem (CID 144956775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).