N-methyl-N-(methylamino)carbamate

C3H7N2O2- — CID 23500233

IUPACN-methyl-N-(methylamino)carbamate
SMILESCNN(C)C(=O)[O-]
InChIInChI=1S/C3H8N2O2/c1-4-5(2)3(6)7/h4H,1-2H3,(H,6,7)/p-1
InChIKeyFFKMJIXALNLRDK-UHFFFAOYSA-M
MW103.10 g/mol
LogP-1.60
Rot. Bonds1

About N-methyl-N-(methylamino)carbamate

N-methyl-N-(methylamino)carbamate (PubChem CID 23500233) has the molecular formula C3H7N2O2- and a molecular weight of 103.10 g/mol. Its IUPAC name is N-methyl-N-(methylamino)carbamate.

Molecular Properties

Compound NameN-methyl-N-(methylamino)carbamate
PubChem CID23500233
Molecular FormulaC3H7N2O2-
Molecular Weight103.10 g/mol
Exact Mass103.05
IUPAC NameN-methyl-N-(methylamino)carbamate
SMILESCNN(C)C(=O)[O-]
InChIInChI=1S/C3H8N2O2/c1-4-5(2)3(6)7/h4H,1-2H3,(H,6,7)/p-1
InChIKeyFFKMJIXALNLRDK-UHFFFAOYSA-M
XLogP-1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylamino)carbamate?
The IUPAC name of N-methyl-N-(methylamino)carbamate (CID 23500233) is N-methyl-N-(methylamino)carbamate.
What is the SMILES notation for N-methyl-N-(methylamino)carbamate?
The canonical SMILES for N-methyl-N-(methylamino)carbamate is CNN(C)C(=O)[O-].
What is the InChIKey of N-methyl-N-(methylamino)carbamate?
The InChIKey is FFKMJIXALNLRDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8N2O2/c1-4-5(2)3(6)7/h4H,1-2H3,(H,6,7)/p-1.
What are the key properties of N-methyl-N-(methylamino)carbamate?
N-methyl-N-(methylamino)carbamate has a molecular weight of 103.10 g/mol, XLogP of -1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylamino)carbamate is sourced from PubChem (CID 23500233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).