6-cyanohexylimino(imino)azanium

C7H13N4+ — CID 6332764

IUPAC6-cyanohexylimino(imino)azanium
SMILESN#CCCCCCCN=[N+]=N
InChIInChI=1S/C7H13N4/c8-6-4-2-1-3-5-7-10-11-9/h9H,1-5,7H2/q+1
InChIKeyBJDRHVYDXDOKQY-UHFFFAOYSA-N
MW153.21 g/mol
LogP2.01
Rot. Bonds6

About 6-cyanohexylimino(imino)azanium

6-cyanohexylimino(imino)azanium (PubChem CID 6332764) has the molecular formula C7H13N4+ and a molecular weight of 153.21 g/mol. Its IUPAC name is 6-cyanohexylimino(imino)azanium.

Molecular Properties

Compound Name6-cyanohexylimino(imino)azanium
PubChem CID6332764
Molecular FormulaC7H13N4+
Molecular Weight153.21 g/mol
Exact Mass153.11
IUPAC Name6-cyanohexylimino(imino)azanium
SMILESN#CCCCCCCN=[N+]=N
InChIInChI=1S/C7H13N4/c8-6-4-2-1-3-5-7-10-11-9/h9H,1-5,7H2/q+1
InChIKeyBJDRHVYDXDOKQY-UHFFFAOYSA-N
XLogP2.01
TPSA74.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyanohexylimino(imino)azanium?
The IUPAC name of 6-cyanohexylimino(imino)azanium (CID 6332764) is 6-cyanohexylimino(imino)azanium.
What is the SMILES notation for 6-cyanohexylimino(imino)azanium?
The canonical SMILES for 6-cyanohexylimino(imino)azanium is N#CCCCCCCN=[N+]=N.
What is the InChIKey of 6-cyanohexylimino(imino)azanium?
The InChIKey is BJDRHVYDXDOKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N4/c8-6-4-2-1-3-5-7-10-11-9/h9H,1-5,7H2/q+1.
What are the key properties of 6-cyanohexylimino(imino)azanium?
6-cyanohexylimino(imino)azanium has a molecular weight of 153.21 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyanohexylimino(imino)azanium is sourced from PubChem (CID 6332764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).