N-methylmethanamine;nitric acid

C2H8N2O3 — CID 13379149

IUPACN-methylmethanamine;nitric acid
SMILESCNC.O=[N+]([O-])O
InChIInChI=1S/C2H7N.HNO3/c1-3-2;2-1(3)4/h3H,1-2H3;(H,2,3,4)
InChIKeyKTAFYYQZWVSKCK-UHFFFAOYSA-N
MW108.10 g/mol
LogP-0.51
Rot. Bonds

About N-methylmethanamine;nitric acid

N-methylmethanamine;nitric acid (PubChem CID 13379149) has the molecular formula C2H8N2O3 and a molecular weight of 108.10 g/mol. Its IUPAC name is N-methylmethanamine;nitric acid.

Molecular Properties

Compound NameN-methylmethanamine;nitric acid
PubChem CID13379149
Molecular FormulaC2H8N2O3
Molecular Weight108.10 g/mol
Exact Mass108.05
IUPAC NameN-methylmethanamine;nitric acid
SMILESCNC.O=[N+]([O-])O
InChIInChI=1S/C2H7N.HNO3/c1-3-2;2-1(3)4/h3H,1-2H3;(H,2,3,4)
InChIKeyKTAFYYQZWVSKCK-UHFFFAOYSA-N
XLogP-0.51
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-methylmethanamine;nitric acid?
The IUPAC name of N-methylmethanamine;nitric acid (CID 13379149) is N-methylmethanamine;nitric acid.
What is the SMILES notation for N-methylmethanamine;nitric acid?
The canonical SMILES for N-methylmethanamine;nitric acid is CNC.O=[N+]([O-])O.
What is the InChIKey of N-methylmethanamine;nitric acid?
The InChIKey is KTAFYYQZWVSKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.HNO3/c1-3-2;2-1(3)4/h3H,1-2H3;(H,2,3,4).
What are the key properties of N-methylmethanamine;nitric acid?
N-methylmethanamine;nitric acid has a molecular weight of 108.10 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;nitric acid is sourced from PubChem (CID 13379149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).