2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine

C26H34N4 — CID 173454823

IUPAC2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine
SMILESCC(C)c1ccc(/C=C/C(/C=C/c2ccc(C(C)C)cc2)=NN=C(N)N(C)C)cc1
InChIInChI=1S/C26H34N4/c1-19(2)23-13-7-21(8-14-23)11-17-25(28-29-26(27)30(5)6)18-12-22-9-15-24(16-10-22)20(3)4/h7-20H,1-6H3,(H2,27,29)/b17-11+,18-12+
InChIKeyDUSRBAPTXLYZET-JYFOCSDGSA-N
MW402.59 g/mol
LogP5.89
Rot. Bonds7

About 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine

2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine (PubChem CID 173454823) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine
PubChem CID173454823
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC Name2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine
SMILESCC(C)c1ccc(/C=C/C(/C=C/c2ccc(C(C)C)cc2)=NN=C(N)N(C)C)cc1
InChIInChI=1S/C26H34N4/c1-19(2)23-13-7-21(8-14-23)11-17-25(28-29-26(27)30(5)6)18-12-22-9-15-24(16-10-22)20(3)4/h7-20H,1-6H3,(H2,27,29)/b17-11+,18-12+
InChIKeyDUSRBAPTXLYZET-JYFOCSDGSA-N
XLogP5.89
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide
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CID 22900193
(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6140170
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene
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1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
1-(6-methylhepta-1,3,5-trienyl)-4-propan-2-ylbenzene
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4-propan-2-ylbenzaldehyde
CID 326

Frequently Asked Questions

What is the IUPAC name of 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine?
The IUPAC name of 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine (CID 173454823) is 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine?
The canonical SMILES for 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine is CC(C)c1ccc(/C=C/C(/C=C/c2ccc(C(C)C)cc2)=NN=C(N)N(C)C)cc1.
What is the InChIKey of 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine?
The InChIKey is DUSRBAPTXLYZET-JYFOCSDGSA-N. The full InChI is InChI=1S/C26H34N4/c1-19(2)23-13-7-21(8-14-23)11-17-25(28-29-26(27)30(5)6)18-12-22-9-15-24(16-10-22)20(3)4/h7-20H,1-6H3,(H2,27,29)/b17-11+,18-12+.
What are the key properties of 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine?
2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine has a molecular weight of 402.59 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1E,4E)-1,5-bis(4-propan-2-ylphenyl)penta-1,4-dien-3-ylidene]amino]-1,1-dimethylguanidine is sourced from PubChem (CID 173454823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).