N-methyl-N-(methyliminomethyl)ethanamine

C5H11N2- — CID 142049793

IUPACN-methyl-N-(methyliminomethyl)ethanamine
SMILESCCN(C)/[C-]=N/C
InChIInChI=1S/C5H11N2/c1-4-7(3)5-6-2/h4H2,1-3H3/q-1
InChIKeyACDVSEVFSTXHHR-UHFFFAOYSA-N
MW99.16 g/mol
LogP0.47
Rot. Bonds2

About N-methyl-N-(methyliminomethyl)ethanamine

N-methyl-N-(methyliminomethyl)ethanamine (PubChem CID 142049793) has the molecular formula C5H11N2- and a molecular weight of 99.16 g/mol. Its IUPAC name is N-methyl-N-(methyliminomethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(methyliminomethyl)ethanamine
PubChem CID142049793
Molecular FormulaC5H11N2-
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC NameN-methyl-N-(methyliminomethyl)ethanamine
SMILESCCN(C)/[C-]=N/C
InChIInChI=1S/C5H11N2/c1-4-7(3)5-6-2/h4H2,1-3H3/q-1
InChIKeyACDVSEVFSTXHHR-UHFFFAOYSA-N
XLogP0.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-methyl-N-(methyliminomethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methyliminomethyl)ethanamine?
The IUPAC name of N-methyl-N-(methyliminomethyl)ethanamine (CID 142049793) is N-methyl-N-(methyliminomethyl)ethanamine.
What is the SMILES notation for N-methyl-N-(methyliminomethyl)ethanamine?
The canonical SMILES for N-methyl-N-(methyliminomethyl)ethanamine is CCN(C)/[C-]=N/C.
What is the InChIKey of N-methyl-N-(methyliminomethyl)ethanamine?
The InChIKey is ACDVSEVFSTXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2/c1-4-7(3)5-6-2/h4H2,1-3H3/q-1.
What are the key properties of N-methyl-N-(methyliminomethyl)ethanamine?
N-methyl-N-(methyliminomethyl)ethanamine has a molecular weight of 99.16 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methyliminomethyl)ethanamine is sourced from PubChem (CID 142049793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).