imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium

C6H14N6O+2 — CID 6333659

IUPACimino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium
SMILESN=[N+]=NCCCOCCCN=[N+]=N
InChIInChI=1S/C6H14N6O/c7-11-9-3-1-5-13-6-2-4-10-12-8/h7-8H,1-6H2/q+2
InChIKeyKHLJHHCLTYBQSF-UHFFFAOYSA-N
MW186.22 g/mol
LogP0.88
Rot. Bonds8

About imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium

imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium (PubChem CID 6333659) has the molecular formula C6H14N6O+2 and a molecular weight of 186.22 g/mol. Its IUPAC name is imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium.

Molecular Properties

Compound Nameimino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium
PubChem CID6333659
Molecular FormulaC6H14N6O+2
Molecular Weight186.22 g/mol
Exact Mass186.12
IUPAC Nameimino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium
SMILESN=[N+]=NCCCOCCCN=[N+]=N
InChIInChI=1S/C6H14N6O/c7-11-9-3-1-5-13-6-2-4-10-12-8/h7-8H,1-6H2/q+2
InChIKeyKHLJHHCLTYBQSF-UHFFFAOYSA-N
XLogP0.88
TPSA109.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium
CID 59378910
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium
CID 118988667
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium
CID 118988665
2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium
CID 126956686
1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
CID 159454812
1-azido-3-(2-azidoethoxy)propane
CID 161084189
2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium
CID 118988574
2-[3-(3-azidopropoxy)propoxy]ethanamine
CID 168833008
imino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]azanium
CID 118988552
1,5-bis(2-azidoethoxy)pentane
CID 130260836
4-(4-azidobutoxy)butan-1-amine
CID 151331524
3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
CID 71710907

Frequently Asked Questions

What is the IUPAC name of imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium?
The IUPAC name of imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium (CID 6333659) is imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium.
What is the SMILES notation for imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium?
The canonical SMILES for imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium is N=[N+]=NCCCOCCCN=[N+]=N.
What is the InChIKey of imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium?
The InChIKey is KHLJHHCLTYBQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6O/c7-11-9-3-1-5-13-6-2-4-10-12-8/h7-8H,1-6H2/q+2.
What are the key properties of imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium?
imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium has a molecular weight of 186.22 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium is sourced from PubChem (CID 6333659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).