N,N-bis(2-hydroxyethoxy)nitramide

C4H10N2O6 — CID 87131592

IUPACN,N-bis(2-hydroxyethoxy)nitramide
SMILESO=[N+]([O-])N(OCCO)OCCO
InChIInChI=1S/C4H10N2O6/c7-1-3-11-6(5(9)10)12-4-2-8/h7-8H,1-4H2
InChIKeyNRBWRWPPTRUTDG-UHFFFAOYSA-N
MW182.13 g/mol
LogP-1.67
Rot. Bonds7

About N,N-bis(2-hydroxyethoxy)nitramide

N,N-bis(2-hydroxyethoxy)nitramide (PubChem CID 87131592) has the molecular formula C4H10N2O6 and a molecular weight of 182.13 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethoxy)nitramide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethoxy)nitramide
PubChem CID87131592
Molecular FormulaC4H10N2O6
Molecular Weight182.13 g/mol
Exact Mass182.05
IUPAC NameN,N-bis(2-hydroxyethoxy)nitramide
SMILESO=[N+]([O-])N(OCCO)OCCO
InChIInChI=1S/C4H10N2O6/c7-1-3-11-6(5(9)10)12-4-2-8/h7-8H,1-4H2
InChIKeyNRBWRWPPTRUTDG-UHFFFAOYSA-N
XLogP-1.67
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethoxy)nitramide?
The IUPAC name of N,N-bis(2-hydroxyethoxy)nitramide (CID 87131592) is N,N-bis(2-hydroxyethoxy)nitramide.
What is the SMILES notation for N,N-bis(2-hydroxyethoxy)nitramide?
The canonical SMILES for N,N-bis(2-hydroxyethoxy)nitramide is O=[N+]([O-])N(OCCO)OCCO.
What is the InChIKey of N,N-bis(2-hydroxyethoxy)nitramide?
The InChIKey is NRBWRWPPTRUTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O6/c7-1-3-11-6(5(9)10)12-4-2-8/h7-8H,1-4H2.
What are the key properties of N,N-bis(2-hydroxyethoxy)nitramide?
N,N-bis(2-hydroxyethoxy)nitramide has a molecular weight of 182.13 g/mol, XLogP of -1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethoxy)nitramide is sourced from PubChem (CID 87131592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).