(3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine

C19H25N — CID 11761331

IUPAC(3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine
SMILESCC(C)C(=C=NC1CCCCC1)/C=C/c1ccccc1
InChIInChI=1S/C19H25N/c1-16(2)18(14-13-17-9-5-3-6-10-17)15-20-19-11-7-4-8-12-19/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12H2,1-2H3/b14-13+
InChIKeyJNNSGQLZESCDRD-BUHFOSPRSA-N
MW267.42 g/mol
LogP5.28
Rot. Bonds4

About (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine

(3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine (PubChem CID 11761331) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine.

Molecular Properties

Compound Name(3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine
PubChem CID11761331
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine
SMILESCC(C)C(=C=NC1CCCCC1)/C=C/c1ccccc1
InChIInChI=1S/C19H25N/c1-16(2)18(14-13-17-9-5-3-6-10-17)15-20-19-11-7-4-8-12-19/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12H2,1-2H3/b14-13+
InChIKeyJNNSGQLZESCDRD-BUHFOSPRSA-N
XLogP5.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.28
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

(E,4R,5S)-5-cyclohexyl-5-hydroxy-4-methyl-1-phenylpent-1-en-3-one
CID 11459971
N-cyclohexyl-2-phenylbut-1-en-1-imine
CID 134921734
(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one
CID 16626234
[N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea
CID 13209275
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-1-[(3aR,7aR)-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-one
CID 5471631
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
(E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9327221
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
dimethyl 2-(cyclohexyliminomethylidene)-3-(1,3-dioxo-1,3-diphenylpropan-2-yl)butanedioate
CID 15255379
N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
CID 140968860
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669

Frequently Asked Questions

What is the IUPAC name of (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine?
The IUPAC name of (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine (CID 11761331) is (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine.
What is the SMILES notation for (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine?
The canonical SMILES for (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine is CC(C)C(=C=NC1CCCCC1)/C=C/c1ccccc1.
What is the InChIKey of (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine?
The InChIKey is JNNSGQLZESCDRD-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H25N/c1-16(2)18(14-13-17-9-5-3-6-10-17)15-20-19-11-7-4-8-12-19/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12H2,1-2H3/b14-13+.
What are the key properties of (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine?
(3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine has a molecular weight of 267.42 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-cyclohexyl-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-imine is sourced from PubChem (CID 11761331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).