3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium

C9H19N6O2+ — CID 59378910

IUPAC3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium
SMILES[N-]=[N+]=NCCCOCCCOCCCN=[N+]=N
InChIInChI=1S/C9H19N6O2/c10-14-12-4-1-6-16-8-3-9-17-7-2-5-13-15-11/h10H,1-9H2/q+1
InChIKeyMCVHMYVEQVCMNR-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.05
Rot. Bonds12

About 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium

3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium (PubChem CID 59378910) has the molecular formula C9H19N6O2+ and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium.

Molecular Properties

Compound Name3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium
PubChem CID59378910
Molecular FormulaC9H19N6O2+
Molecular Weight243.29 g/mol
Exact Mass243.16
IUPAC Name3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium
SMILES[N-]=[N+]=NCCCOCCCOCCCN=[N+]=N
InChIInChI=1S/C9H19N6O2/c10-14-12-4-1-6-16-8-3-9-17-7-2-5-13-15-11/h10H,1-9H2/q+1
InChIKeyMCVHMYVEQVCMNR-UHFFFAOYSA-N
XLogP2.05
TPSA117.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
CID 159454812
imino-[3-[3-(iminoazaniumylideneamino)propoxy]propylimino]azanium
CID 6333659
1-azido-3-(2-azidoethoxy)propane
CID 161084189
2-[3-(3-azidopropoxy)propoxy]ethanamine
CID 168833008
1,5-bis(2-azidoethoxy)pentane
CID 130260836
4-(4-azidobutoxy)butan-1-amine
CID 151331524
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574
bis(3-azidopropoxy)-oxophosphanium
CID 175216495

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium?
The IUPAC name of 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium (CID 59378910) is 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium.
What is the SMILES notation for 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium?
The canonical SMILES for 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium is [N-]=[N+]=NCCCOCCCOCCCN=[N+]=N.
What is the InChIKey of 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium?
The InChIKey is MCVHMYVEQVCMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N6O2/c10-14-12-4-1-6-16-8-3-9-17-7-2-5-13-15-11/h10H,1-9H2/q+1.
What are the key properties of 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium?
3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium has a molecular weight of 243.29 g/mol, XLogP of 2.05, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium is sourced from PubChem (CID 59378910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).