(5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine

C14H19N — CID 126592731

IUPAC(5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine
SMILES[H]/N=C/CC(=C=C)C/C=C\C(C)=C(/C)C=C
InChIInChI=1S/C14H19N/c1-5-12(3)13(4)8-7-9-14(6-2)10-11-15/h5,7-8,11,15H,1-2,9-10H2,3-4H3/b8-7-,13-12+,15-11+
InChIKeyUVKHHZXJVAMMQR-ICCYDPCWSA-N
MW201.31 g/mol
LogP4.21
Rot. Bonds6

About (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine

(5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine (PubChem CID 126592731) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine.

Molecular Properties

Compound Name(5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine
PubChem CID126592731
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine
SMILES[H]/N=C/CC(=C=C)C/C=C\C(C)=C(/C)C=C
InChIInChI=1S/C14H19N/c1-5-12(3)13(4)8-7-9-14(6-2)10-11-15/h5,7-8,11,15H,1-2,9-10H2,3-4H3/b8-7-,13-12+,15-11+
InChIKeyUVKHHZXJVAMMQR-ICCYDPCWSA-N
XLogP4.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine?
The IUPAC name of (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine (CID 126592731) is (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine.
What is the SMILES notation for (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine?
The canonical SMILES for (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine is [H]/N=C/CC(=C=C)C/C=C\C(C)=C(/C)C=C.
What is the InChIKey of (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine?
The InChIKey is UVKHHZXJVAMMQR-ICCYDPCWSA-N. The full InChI is InChI=1S/C14H19N/c1-5-12(3)13(4)8-7-9-14(6-2)10-11-15/h5,7-8,11,15H,1-2,9-10H2,3-4H3/b8-7-,13-12+,15-11+.
What are the key properties of (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine?
(5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine has a molecular weight of 201.31 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine is sourced from PubChem (CID 126592731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).