2-[bis(2-azidoethyl)amino]ethanol

C6H13N7O — CID 91611711

IUPAC2-[bis(2-azidoethyl)amino]ethanol
SMILES[N-]=[N+]=NCCN(CCO)CCN=[N+]=[N-]
InChIInChI=1S/C6H13N7O/c7-11-9-1-3-13(5-6-14)4-2-10-12-8/h14H,1-6H2
InChIKeyYRZHTTOLMXPVPI-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.90
Rot. Bonds8

About 2-[bis(2-azidoethyl)amino]ethanol

2-[bis(2-azidoethyl)amino]ethanol (PubChem CID 91611711) has the molecular formula C6H13N7O and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-[bis(2-azidoethyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(2-azidoethyl)amino]ethanol
PubChem CID91611711
Molecular FormulaC6H13N7O
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-[bis(2-azidoethyl)amino]ethanol
SMILES[N-]=[N+]=NCCN(CCO)CCN=[N+]=[N-]
InChIInChI=1S/C6H13N7O/c7-11-9-1-3-13(5-6-14)4-2-10-12-8/h14H,1-6H2
InChIKeyYRZHTTOLMXPVPI-UHFFFAOYSA-N
XLogP0.90
TPSA120.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

2-[2-azidoethyl(ethyl)amino]ethanol
CID 61396589
2-[2-azidoethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484811
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
CID 167612396
CID 167612396
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
6-azidohexan-1-ol
CID 11051778
8-azidooctan-1-ol
CID 11789665

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-azidoethyl)amino]ethanol?
The IUPAC name of 2-[bis(2-azidoethyl)amino]ethanol (CID 91611711) is 2-[bis(2-azidoethyl)amino]ethanol.
What is the SMILES notation for 2-[bis(2-azidoethyl)amino]ethanol?
The canonical SMILES for 2-[bis(2-azidoethyl)amino]ethanol is [N-]=[N+]=NCCN(CCO)CCN=[N+]=[N-].
What is the InChIKey of 2-[bis(2-azidoethyl)amino]ethanol?
The InChIKey is YRZHTTOLMXPVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N7O/c7-11-9-1-3-13(5-6-14)4-2-10-12-8/h14H,1-6H2.
What are the key properties of 2-[bis(2-azidoethyl)amino]ethanol?
2-[bis(2-azidoethyl)amino]ethanol has a molecular weight of 199.22 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-azidoethyl)amino]ethanol is sourced from PubChem (CID 91611711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).