(2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine

C14H17N — CID 118901642

IUPAC(2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine
SMILESC=C/C=C/C=C/C=C\C=C\C=C\C=N\C
InChIInChI=1S/C14H17N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h3-14H,1H2,2H3/b5-4+,7-6+,9-8-,11-10+,13-12+,15-14+
InChIKeyDZCLRZUZNNNNAU-KHIPNBIVSA-N
MW199.30 g/mol
LogP3.65
Rot. Bonds6

About (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine

(2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine (PubChem CID 118901642) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine.

Molecular Properties

Compound Name(2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine
PubChem CID118901642
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine
SMILESC=C/C=C/C=C/C=C\C=C\C=C\C=N\C
InChIInChI=1S/C14H17N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h3-14H,1H2,2H3/b5-4+,7-6+,9-8-,11-10+,13-12+,15-14+
InChIKeyDZCLRZUZNNNNAU-KHIPNBIVSA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine?
The IUPAC name of (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine (CID 118901642) is (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine.
What is the SMILES notation for (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine?
The canonical SMILES for (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine is C=C/C=C/C=C/C=C\C=C\C=C\C=N\C.
What is the InChIKey of (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine?
The InChIKey is DZCLRZUZNNNNAU-KHIPNBIVSA-N. The full InChI is InChI=1S/C14H17N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h3-14H,1H2,2H3/b5-4+,7-6+,9-8-,11-10+,13-12+,15-14+.
What are the key properties of (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine?
(2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine has a molecular weight of 199.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E,10E)-N-methyltrideca-2,4,6,8,10,12-hexaen-1-imine is sourced from PubChem (CID 118901642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).