(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine

C19H27N — CID 10015927

IUPAC(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
SMILESCCCC/N=C/C=C(\C=C\c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H27N/c1-5-6-15-20-16-14-18(19(2,3)4)13-12-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3/b13-12+,18-14+,20-16+
InChIKeyCJQSKRGCHAWKEH-ZPOXHRAJSA-N
MW269.43 g/mol
LogP5.54
Rot. Bonds6

About (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine

(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine (PubChem CID 10015927) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
PubChem CID10015927
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
SMILESCCCC/N=C/C=C(\C=C\c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H27N/c1-5-6-15-20-16-14-18(19(2,3)4)13-12-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3/b13-12+,18-14+,20-16+
InChIKeyCJQSKRGCHAWKEH-ZPOXHRAJSA-N
XLogP5.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 11777882
[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
CID 144969758
(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine
CID 11723731
(E)-N'-butyl-3-phenylprop-2-enimidamide;hydrochloride
CID 69131247
[N-butyl-C-(2-phenylethenyl)carbonimidoyl]urea;hydrochloride
CID 70532791
N-hexyl-3-phenylbut-2-en-1-imine
CID 66742213
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
N-(N'-butylcarbamimidoyl)-3-phenylprop-2-enamide
CID 91609124
[(1E)-3-butylocta-1,3,4-trienyl]benzene
CID 10988411
[(1E,3E)-3-bromonona-1,3-dienyl]benzene
CID 135039609
2-methylnonan-2-yl(2-phenylethenyl)silane
CID 173268172

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine (CID 10015927) is (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine is CCCC/N=C/C=C(\C=C\c1ccccc1)C(C)(C)C.
What is the InChIKey of (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine?
The InChIKey is CJQSKRGCHAWKEH-ZPOXHRAJSA-N. The full InChI is InChI=1S/C19H27N/c1-5-6-15-20-16-14-18(19(2,3)4)13-12-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3/b13-12+,18-14+,20-16+.
What are the key properties of (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine?
(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine has a molecular weight of 269.43 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine is sourced from PubChem (CID 10015927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).