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

C6H14N4O — CID 61396589

IUPAC2-[2-azidoethyl(ethyl)amino]ethanol
SMILESCCN(CCO)CCN=[N+]=[N-]
InChIInChI=1S/C6H14N4O/c1-2-10(5-6-11)4-3-8-9-7/h11H,2-6H2,1H3
InChIKeyQICCFOPLGUYGAZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.61
Rot. Bonds6

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

2-[2-azidoethyl(ethyl)amino]ethanol (PubChem CID 61396589) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[2-azidoethyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-azidoethyl(ethyl)amino]ethanol
PubChem CID61396589
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name2-[2-azidoethyl(ethyl)amino]ethanol
SMILESCCN(CCO)CCN=[N+]=[N-]
InChIInChI=1S/C6H14N4O/c1-2-10(5-6-11)4-3-8-9-7/h11H,2-6H2,1H3
InChIKeyQICCFOPLGUYGAZ-UHFFFAOYSA-N
XLogP0.61
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-azidoethyl(ethyl)amino]ethanol?
The IUPAC name of 2-[2-azidoethyl(ethyl)amino]ethanol (CID 61396589) is 2-[2-azidoethyl(ethyl)amino]ethanol.
What is the SMILES notation for 2-[2-azidoethyl(ethyl)amino]ethanol?
The canonical SMILES for 2-[2-azidoethyl(ethyl)amino]ethanol is CCN(CCO)CCN=[N+]=[N-].
What is the InChIKey of 2-[2-azidoethyl(ethyl)amino]ethanol?
The InChIKey is QICCFOPLGUYGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-2-10(5-6-11)4-3-8-9-7/h11H,2-6H2,1H3.
What are the key properties of 2-[2-azidoethyl(ethyl)amino]ethanol?
2-[2-azidoethyl(ethyl)amino]ethanol has a molecular weight of 158.20 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-azidoethyl(ethyl)amino]ethanol is sourced from PubChem (CID 61396589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).