[(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide

C15H23N3 — CID 138507145

IUPAC[(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide
SMILES[H]/N=C(\C=C)C(C)(C)C/C=C/C(=N/C#N)C(C)(C)C
InChIInChI=1S/C15H23N3/c1-7-12(17)15(5,6)10-8-9-13(18-11-16)14(2,3)4/h7-9,17H,1,10H2,2-6H3/b9-8+,17-12+,18-13-
InChIKeyAGBRNIXKEHRJQM-MXHPTIGVSA-N
MW245.37 g/mol
LogP4.13
Rot. Bonds5

About [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide

[(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide (PubChem CID 138507145) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide.

Molecular Properties

Compound Name[(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide
PubChem CID138507145
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide
SMILES[H]/N=C(\C=C)C(C)(C)C/C=C/C(=N/C#N)C(C)(C)C
InChIInChI=1S/C15H23N3/c1-7-12(17)15(5,6)10-8-9-13(18-11-16)14(2,3)4/h7-9,17H,1,10H2,2-6H3/b9-8+,17-12+,18-13-
InChIKeyAGBRNIXKEHRJQM-MXHPTIGVSA-N
XLogP4.13
TPSA60.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide?
The IUPAC name of [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide (CID 138507145) is [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide.
What is the SMILES notation for [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide?
The canonical SMILES for [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide is [H]/N=C(\C=C)C(C)(C)C/C=C/C(=N/C#N)C(C)(C)C.
What is the InChIKey of [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide?
The InChIKey is AGBRNIXKEHRJQM-MXHPTIGVSA-N. The full InChI is InChI=1S/C15H23N3/c1-7-12(17)15(5,6)10-8-9-13(18-11-16)14(2,3)4/h7-9,17H,1,10H2,2-6H3/b9-8+,17-12+,18-13-.
What are the key properties of [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide?
[(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide has a molecular weight of 245.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide is sourced from PubChem (CID 138507145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).