1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane

C10H22N6O2 — CID 159454812

IUPAC1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
SMILESC.[N-]=[N+]=NCCCOCCCOCCCN=[N+]=[N-]
InChIInChI=1S/C9H18N6O2.CH4/c10-14-12-4-1-6-16-8-3-9-17-7-2-5-13-15-11;/h1-9H2;1H4
InChIKeyLTVHUAYHELHCGT-UHFFFAOYSA-N
MW258.33 g/mol
LogP3.45
Rot. Bonds12

About 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane

1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane (PubChem CID 159454812) has the molecular formula C10H22N6O2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane.

Molecular Properties

Compound Name1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
PubChem CID159454812
Molecular FormulaC10H22N6O2
Molecular Weight258.33 g/mol
Exact Mass258.18
IUPAC Name1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
SMILESC.[N-]=[N+]=NCCCOCCCOCCCN=[N+]=[N-]
InChIInChI=1S/C9H18N6O2.CH4/c10-14-12-4-1-6-16-8-3-9-17-7-2-5-13-15-11;/h1-9H2;1H4
InChIKeyLTVHUAYHELHCGT-UHFFFAOYSA-N
XLogP3.45
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-azidoethoxy)propane
CID 161084189
2-[3-(3-azidopropoxy)propoxy]ethanamine
CID 168833008
3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium
CID 59378910
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
1,14-diazidotetradecane
CID 146463967

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane?
The IUPAC name of 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane (CID 159454812) is 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane.
What is the SMILES notation for 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane?
The canonical SMILES for 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane is C.[N-]=[N+]=NCCCOCCCOCCCN=[N+]=[N-].
What is the InChIKey of 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane?
The InChIKey is LTVHUAYHELHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2.CH4/c10-14-12-4-1-6-16-8-3-9-17-7-2-5-13-15-11;/h1-9H2;1H4.
What are the key properties of 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane?
1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane has a molecular weight of 258.33 g/mol, XLogP of 3.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane is sourced from PubChem (CID 159454812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).