ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine

C20H27N — CID 145198715

IUPACethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine
SMILESCC.CC/C(C)=C(/N=C1\C=CC=CC1C)c1ccccc1
InChIInChI=1S/C18H21N.C2H6/c1-4-14(2)18(16-11-6-5-7-12-16)19-17-13-9-8-10-15(17)3;1-2/h5-13,15H,4H2,1-3H3;1-2H3/b18-14+,19-17+;
InChIKeyFDMYZDJJQLKJKN-JAGYBWIQSA-N
MW281.44 g/mol
LogP6.06
Rot. Bonds3

About ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine

ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine (PubChem CID 145198715) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine
PubChem CID145198715
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Nameethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine
SMILESCC.CC/C(C)=C(/N=C1\C=CC=CC1C)c1ccccc1
InChIInChI=1S/C18H21N.C2H6/c1-4-14(2)18(16-11-6-5-7-12-16)19-17-13-9-8-10-15(17)3;1-2/h5-13,15H,4H2,1-3H3;1-2H3/b18-14+,19-17+;
InChIKeyFDMYZDJJQLKJKN-JAGYBWIQSA-N
XLogP6.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.06
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

6,7-Diphenyldibenzo(E,G)(1,4)diazocine
CID 258179
N-(1-Methyl-3-phenyl-2-propenylidene)aniline
CID 5382915
2,3-Dichloro-6,12-diphenyl-dibenzo(b,f)(1,5)diazocine
CID 5359911
N-benzyl-1-phenylethanimine
CID 297338
Benzenemethanamine, N-(1-methylethylidene)-
CID 3783166
1-phenyl-N-(1-phenylethyl)ethanimine
CID 10680615
N-benzylpentan-3-imine
CID 12290020
N-(1-phenylethyl)cyclohexanimine
CID 12723295
N-benzyl-2-fluorocyclohexan-1-imine
CID 135086496
N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
CID 139124130
2,7-diphenyl-3H-azepine
CID 11053925
3-Methyl-2-phenyl-2H-azirine
CID 12403208

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine (CID 145198715) is ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine is CC.CC/C(C)=C(/N=C1\C=CC=CC1C)c1ccccc1.
What is the InChIKey of ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is FDMYZDJJQLKJKN-JAGYBWIQSA-N. The full InChI is InChI=1S/C18H21N.C2H6/c1-4-14(2)18(16-11-6-5-7-12-16)19-17-13-9-8-10-15(17)3;1-2/h5-13,15H,4H2,1-3H3;1-2H3/b18-14+,19-17+;.
What are the key properties of ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine?
ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 281.44 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 145198715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).