N-ethyl-N-(2-methoxypropyl)nitramide

C6H14N2O3 — CID 141083588

IUPACN-ethyl-N-(2-methoxypropyl)nitramide
SMILESCCN(CC(C)OC)[N+](=O)[O-]
InChIInChI=1S/C6H14N2O3/c1-4-7(8(9)10)5-6(2)11-3/h6H,4-5H2,1-3H3
InChIKeyJOLUNDCJUHTHIW-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.53
Rot. Bonds5

About N-ethyl-N-(2-methoxypropyl)nitramide

N-ethyl-N-(2-methoxypropyl)nitramide (PubChem CID 141083588) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxypropyl)nitramide.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxypropyl)nitramide
PubChem CID141083588
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC NameN-ethyl-N-(2-methoxypropyl)nitramide
SMILESCCN(CC(C)OC)[N+](=O)[O-]
InChIInChI=1S/C6H14N2O3/c1-4-7(8(9)10)5-6(2)11-3/h6H,4-5H2,1-3H3
InChIKeyJOLUNDCJUHTHIW-UHFFFAOYSA-N
XLogP0.53
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

N-Nitroso-2,6-dimethylmorpholine
CID 15081
2-Methyl-4-nitrosomorpholine
CID 21116826
2-(Nitropropylamino)ethyl nitrate
CID 44152705
N-Nitrobis(2-hydroxypropyl)amine
CID 54386935
cis-N-Nitroso-2,6-dimethylmorpholine
CID 3035035
1-[Ethyl(nitro)amino]propan-2-yl nitrate
CID 11074261
2-Nitro-2-azapentan-4-ol
CID 13262630
1-[Nitro(2-nitrooxyethyl)amino]propan-2-yl nitrate
CID 15326087
1-[Butyl(nitro)amino]propan-2-yl nitrate
CID 15326097
[1-Azido-3-[ethyl(nitro)amino]propan-2-yl] nitrate
CID 15353915
trans-N-Nitroso-2,6-dimethylmorpholine
CID 114879
[3-Methoxy-2-(nitrooxy)propyl]methylnitroamine
CID 4034140

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxypropyl)nitramide?
The IUPAC name of N-ethyl-N-(2-methoxypropyl)nitramide (CID 141083588) is N-ethyl-N-(2-methoxypropyl)nitramide.
What is the SMILES notation for N-ethyl-N-(2-methoxypropyl)nitramide?
The canonical SMILES for N-ethyl-N-(2-methoxypropyl)nitramide is CCN(CC(C)OC)[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-(2-methoxypropyl)nitramide?
The InChIKey is JOLUNDCJUHTHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-4-7(8(9)10)5-6(2)11-3/h6H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methoxypropyl)nitramide?
N-ethyl-N-(2-methoxypropyl)nitramide has a molecular weight of 162.19 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxypropyl)nitramide is sourced from PubChem (CID 141083588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).