1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine

C20H27N — CID 166131639

IUPAC1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine
SMILESC=C(/N=C(\C)c1ccccc1C(C)(C)C)C(=C)/C(C)=C\C
InChIInChI=1S/C20H27N/c1-9-14(2)15(3)16(4)21-17(5)18-12-10-11-13-19(18)20(6,7)8/h9-13H,3-4H2,1-2,5-8H3/b14-9-,21-17+
InChIKeyFJKDILFYBMNLQY-NLNXUYBSSA-N
MW281.44 g/mol
LogP5.83
Rot. Bonds4

About 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine

1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine (PubChem CID 166131639) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine
PubChem CID166131639
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine
SMILESC=C(/N=C(\C)c1ccccc1C(C)(C)C)C(=C)/C(C)=C\C
InChIInChI=1S/C20H27N/c1-9-14(2)15(3)16(4)21-17(5)18-12-10-11-13-19(18)20(6,7)8/h9-13H,3-4H2,1-2,5-8H3/b14-9-,21-17+
InChIKeyFJKDILFYBMNLQY-NLNXUYBSSA-N
XLogP5.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.83
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'}

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Related Compounds

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CID 175472927
1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone
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CID 14145194
1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one
CID 23071301
3-[2-(C,N-dimethylcarbonimidoyl)phenyl]-N,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine
CID 91254389
1-tert-butyl-2-[(E)-1-methoxy-2-phenylprop-1-enyl]benzene
CID 11033268
CID 172777673
CID 172777673
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CID 10494360

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine (CID 166131639) is 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine is C=C(/N=C(\C)c1ccccc1C(C)(C)C)C(=C)/C(C)=C\C.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine?
The InChIKey is FJKDILFYBMNLQY-NLNXUYBSSA-N. The full InChI is InChI=1S/C20H27N/c1-9-14(2)15(3)16(4)21-17(5)18-12-10-11-13-19(18)20(6,7)8/h9-13H,3-4H2,1-2,5-8H3/b14-9-,21-17+.
What are the key properties of 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine?
1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine has a molecular weight of 281.44 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-[(4Z)-4-methyl-3-methylidenehexa-1,4-dien-2-yl]ethanimine is sourced from PubChem (CID 166131639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).