N,N-bis(2-hydroxypropyl)nitramide

C6H14N2O4 — CID 54386935

IUPACN,N-bis(2-hydroxypropyl)nitramide
SMILESCC(O)CN(CC(C)O)[N+](=O)[O-]
InChIInChI=1S/C6H14N2O4/c1-5(9)3-7(8(11)12)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChIKeyVDXFGTOIPOGIJD-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.76
Rot. Bonds5

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

N,N-bis(2-hydroxypropyl)nitramide (PubChem CID 54386935) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is N,N-bis(2-hydroxypropyl)nitramide.

Molecular Properties

Compound NameN,N-bis(2-hydroxypropyl)nitramide
PubChem CID54386935
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC NameN,N-bis(2-hydroxypropyl)nitramide
SMILESCC(O)CN(CC(C)O)[N+](=O)[O-]
InChIInChI=1S/C6H14N2O4/c1-5(9)3-7(8(11)12)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChIKeyVDXFGTOIPOGIJD-UHFFFAOYSA-N
XLogP-0.76
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxypropyl)nitramide?
The IUPAC name of N,N-bis(2-hydroxypropyl)nitramide (CID 54386935) is N,N-bis(2-hydroxypropyl)nitramide.
What is the SMILES notation for N,N-bis(2-hydroxypropyl)nitramide?
The canonical SMILES for N,N-bis(2-hydroxypropyl)nitramide is CC(O)CN(CC(C)O)[N+](=O)[O-].
What is the InChIKey of N,N-bis(2-hydroxypropyl)nitramide?
The InChIKey is VDXFGTOIPOGIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4/c1-5(9)3-7(8(11)12)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxypropyl)nitramide?
N,N-bis(2-hydroxypropyl)nitramide has a molecular weight of 178.19 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxypropyl)nitramide is sourced from PubChem (CID 54386935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).