imino-[(E)-tridec-2-enyl]iminoazanium

C13H26N3+ — CID 123168009

IUPACimino-[(E)-tridec-2-enyl]iminoazanium
SMILESCCCCCCCCCC/C=C/CN=[N+]=N
InChIInChI=1S/C13H26N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-16-14/h11-12,14H,2-10,13H2,1H3/q+1/b12-11+
InChIKeyORSAQHIXLQLZSA-VAWYXSNFSA-N
MW224.37 g/mol
LogP4.62
Rot. Bonds11

About imino-[(E)-tridec-2-enyl]iminoazanium

imino-[(E)-tridec-2-enyl]iminoazanium (PubChem CID 123168009) has the molecular formula C13H26N3+ and a molecular weight of 224.37 g/mol. Its IUPAC name is imino-[(E)-tridec-2-enyl]iminoazanium.

Molecular Properties

Compound Nameimino-[(E)-tridec-2-enyl]iminoazanium
PubChem CID123168009
Molecular FormulaC13H26N3+
Molecular Weight224.37 g/mol
Exact Mass224.21
IUPAC Nameimino-[(E)-tridec-2-enyl]iminoazanium
SMILESCCCCCCCCCC/C=C/CN=[N+]=N
InChIInChI=1S/C13H26N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-16-14/h11-12,14H,2-10,13H2,1H3/q+1/b12-11+
InChIKeyORSAQHIXLQLZSA-VAWYXSNFSA-N
XLogP4.62
TPSA50.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(E)-1-azido-5-fluoropentadec-2-ene
CID 154714645
(Z)-1-azidododec-5-ene
CID 10656025
(E)-1-azidooct-2-ene
CID 14415560
1-Azidohexadec-7-ene
CID 54568004
1-Azidooct-2-ene
CID 57119076
1-Azidotridec-2-ene
CID 85563484
(2E,4E)-1-Azidodeca-2,4-diene
CID 118023486
(2E,4E)-1-azidododeca-2,4-diene
CID 118028603
(Z)-1-azidotetradec-5-ene
CID 121367151
1-Azidododeca-2,4-diene
CID 123761820
1-Azidodeca-2,4-diene
CID 151115774
(Z)-1-azidooct-2-ene
CID 151133702

Frequently Asked Questions

What is the IUPAC name of imino-[(E)-tridec-2-enyl]iminoazanium?
The IUPAC name of imino-[(E)-tridec-2-enyl]iminoazanium (CID 123168009) is imino-[(E)-tridec-2-enyl]iminoazanium.
What is the SMILES notation for imino-[(E)-tridec-2-enyl]iminoazanium?
The canonical SMILES for imino-[(E)-tridec-2-enyl]iminoazanium is CCCCCCCCCC/C=C/CN=[N+]=N.
What is the InChIKey of imino-[(E)-tridec-2-enyl]iminoazanium?
The InChIKey is ORSAQHIXLQLZSA-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H26N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-16-14/h11-12,14H,2-10,13H2,1H3/q+1/b12-11+.
What are the key properties of imino-[(E)-tridec-2-enyl]iminoazanium?
imino-[(E)-tridec-2-enyl]iminoazanium has a molecular weight of 224.37 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(E)-tridec-2-enyl]iminoazanium is sourced from PubChem (CID 123168009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).