methylaminomethyl nitrate

C2H6N2O3 — CID 59287819

IUPACmethylaminomethyl nitrate
SMILESCNCO[N+](=O)[O-]
InChIInChI=1S/C2H6N2O3/c1-3-2-7-4(5)6/h3H,2H2,1H3
InChIKeyMAHBORMNTZBHJF-UHFFFAOYSA-N
MW106.08 g/mol
LogP-0.63
Rot. Bonds3

About methylaminomethyl nitrate

methylaminomethyl nitrate (PubChem CID 59287819) has the molecular formula C2H6N2O3 and a molecular weight of 106.08 g/mol. Its IUPAC name is methylaminomethyl nitrate.

Molecular Properties

Compound Namemethylaminomethyl nitrate
PubChem CID59287819
Molecular FormulaC2H6N2O3
Molecular Weight106.08 g/mol
Exact Mass106.04
IUPAC Namemethylaminomethyl nitrate
SMILESCNCO[N+](=O)[O-]
InChIInChI=1S/C2H6N2O3/c1-3-2-7-4(5)6/h3H,2H2,1H3
InChIKeyMAHBORMNTZBHJF-UHFFFAOYSA-N
XLogP-0.63
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)ethyl nitrate;bis(nitric acid)
CID 24840569
[2-(methylamino)-2-oxoethyl] nitrate
CID 87323763
[(2R)-2-hydroxypropyl] nitrate
CID 123944306
copper;ethyl nitrate
CID 146280081
2-nitrooxyethylphosphonic acid
CID 174730506
[1-(methylamino)-2-nitrooxyethyl] nitrate
CID 166756423
[4-(methylamino)-4-oxobutyl] nitrate
CID 87324405
N-(methylaminomethoxymethyl)-N'-nitroethanimidamide
CID 172956423
anilinomethyl nitrate
CID 87550626
N-methylmethanamine;nitric acid
CID 13379149
hydroxylamine;prop-2-enyl nitrate
CID 173242040
3-methylbut-2-enyl nitrate
CID 10219448

Frequently Asked Questions

What is the IUPAC name of methylaminomethyl nitrate?
The IUPAC name of methylaminomethyl nitrate (CID 59287819) is methylaminomethyl nitrate.
What is the SMILES notation for methylaminomethyl nitrate?
The canonical SMILES for methylaminomethyl nitrate is CNCO[N+](=O)[O-].
What is the InChIKey of methylaminomethyl nitrate?
The InChIKey is MAHBORMNTZBHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3/c1-3-2-7-4(5)6/h3H,2H2,1H3.
What are the key properties of methylaminomethyl nitrate?
methylaminomethyl nitrate has a molecular weight of 106.08 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethyl nitrate is sourced from PubChem (CID 59287819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).