[(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea

C15H25N3O — CID 6874838

IUPAC[(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea
SMILESCC(=C=CC(C)(C)/C=N/NC(N)=O)CCC=C(C)C
InChIInChI=1S/C15H25N3O/c1-12(2)7-6-8-13(3)9-10-15(4,5)11-17-18-14(16)19/h7,10-11H,6,8H2,1-5H3,(H3,16,18,19)/b17-11+
InChIKeyAVWYELAWIMYOIQ-GZTJUZNOSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds6

About [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea

[(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea (PubChem CID 6874838) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea.

Molecular Properties

Compound Name[(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea
PubChem CID6874838
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea
SMILESCC(=C=CC(C)(C)/C=N/NC(N)=O)CCC=C(C)C
InChIInChI=1S/C15H25N3O/c1-12(2)7-6-8-13(3)9-10-15(4,5)11-17-18-14(16)19/h7,10-11H,6,8H2,1-5H3,(H3,16,18,19)/b17-11+
InChIKeyAVWYELAWIMYOIQ-GZTJUZNOSA-N
XLogP3.51
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea?
The IUPAC name of [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea (CID 6874838) is [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea.
What is the SMILES notation for [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea?
The canonical SMILES for [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea is CC(=C=CC(C)(C)/C=N/NC(N)=O)CCC=C(C)C.
What is the InChIKey of [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea?
The InChIKey is AVWYELAWIMYOIQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)7-6-8-13(3)9-10-15(4,5)11-17-18-14(16)19/h7,10-11H,6,8H2,1-5H3,(H3,16,18,19)/b17-11+.
What are the key properties of [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea?
[(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea has a molecular weight of 263.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,2,5,9-tetramethyldeca-3,4,8-trienylideneamino]urea is sourced from PubChem (CID 6874838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).