trideca-2,4,5,7,9,11,12-heptaen-1-imine

C13H13N — CID 91276767

IUPACtrideca-2,4,5,7,9,11,12-heptaen-1-imine
SMILES[H]/N=C/C=CC=C=CC=CC=CC=C=C
InChIInChI=1S/C13H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-8,10-14H,1H2/b5-4?,7-6?,12-11?,14-13+
InChIKeyUYNATCVOSQKNDW-SSKHRFKKSA-N
MW183.25 g/mol
LogP3.36
Rot. Bonds5

About trideca-2,4,5,7,9,11,12-heptaen-1-imine

trideca-2,4,5,7,9,11,12-heptaen-1-imine (PubChem CID 91276767) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is trideca-2,4,5,7,9,11,12-heptaen-1-imine.

Molecular Properties

Compound Nametrideca-2,4,5,7,9,11,12-heptaen-1-imine
PubChem CID91276767
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Nametrideca-2,4,5,7,9,11,12-heptaen-1-imine
SMILES[H]/N=C/C=CC=C=CC=CC=CC=C=C
InChIInChI=1S/C13H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-8,10-14H,1H2/b5-4?,7-6?,12-11?,14-13+
InChIKeyUYNATCVOSQKNDW-SSKHRFKKSA-N
XLogP3.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.36
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 trideca-2,4,5,7,9,11,12-heptaen-1-imine?
The IUPAC name of trideca-2,4,5,7,9,11,12-heptaen-1-imine (CID 91276767) is trideca-2,4,5,7,9,11,12-heptaen-1-imine.
What is the SMILES notation for trideca-2,4,5,7,9,11,12-heptaen-1-imine?
The canonical SMILES for trideca-2,4,5,7,9,11,12-heptaen-1-imine is [H]/N=C/C=CC=C=CC=CC=CC=C=C.
What is the InChIKey of trideca-2,4,5,7,9,11,12-heptaen-1-imine?
The InChIKey is UYNATCVOSQKNDW-SSKHRFKKSA-N. The full InChI is InChI=1S/C13H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-8,10-14H,1H2/b5-4?,7-6?,12-11?,14-13+.
What are the key properties of trideca-2,4,5,7,9,11,12-heptaen-1-imine?
trideca-2,4,5,7,9,11,12-heptaen-1-imine has a molecular weight of 183.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-2,4,5,7,9,11,12-heptaen-1-imine is sourced from PubChem (CID 91276767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).