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

C19H27N — CID 11777882

IUPAC(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
SMILESCCC(C)/N=C/C=C(\C=C\c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H27N/c1-6-16(2)20-15-14-18(19(3,4)5)13-12-17-10-8-7-9-11-17/h7-16H,6H2,1-5H3/b13-12+,18-14+,20-15+
InChIKeyXZSBUBPAFGRNDV-MMWUXHIJSA-N
MW269.43 g/mol
LogP5.54
Rot. Bonds5

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

(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine (PubChem CID 11777882) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
PubChem CID11777882
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
SMILESCCC(C)/N=C/C=C(\C=C\c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H27N/c1-6-16(2)20-15-14-18(19(3,4)5)13-12-17-10-8-7-9-11-17/h7-16H,6H2,1-5H3/b13-12+,18-14+,20-15+
InChIKeyXZSBUBPAFGRNDV-MMWUXHIJSA-N
XLogP5.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 10015927
[(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
N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine
CID 102190554
N-[(2S)-butan-2-yl]-2-phenylethenimine
CID 13459841
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene
CID 59892266
2-methylpropyl 2,2-dimethyl-3-[(E)-3-phenylprop-2-enoyl]oxybutanoate
CID 69305658
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187
(E)-2-methyl-6-phenylhex-5-en-2-ol
CID 82468818
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine (CID 11777882) is (2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine is CCC(C)/N=C/C=C(\C=C\c1ccccc1)C(C)(C)C.
What is the InChIKey of (2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine?
The InChIKey is XZSBUBPAFGRNDV-MMWUXHIJSA-N. The full InChI is InChI=1S/C19H27N/c1-6-16(2)20-15-14-18(19(3,4)5)13-12-17-10-8-7-9-11-17/h7-16H,6H2,1-5H3/b13-12+,18-14+,20-15+.
What are the key properties of (2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine?
(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine has a molecular weight of 269.43 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine is sourced from PubChem (CID 11777882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).