N'-ethyl-N-methylmethanediamine

C4H12N2 — CID 21026729

IUPACN'-ethyl-N-methylmethanediamine
SMILESCCNCNC
InChIInChI=1S/C4H12N2/c1-3-6-4-5-2/h5-6H,3-4H2,1-2H3
InChIKeyWAJDOCBHBITZSJ-UHFFFAOYSA-N
MW88.15 g/mol
LogP-0.23
Rot. Bonds3

About N'-ethyl-N-methylmethanediamine

N'-ethyl-N-methylmethanediamine (PubChem CID 21026729) has the molecular formula C4H12N2 and a molecular weight of 88.15 g/mol. Its IUPAC name is N'-ethyl-N-methylmethanediamine.

Molecular Properties

Compound NameN'-ethyl-N-methylmethanediamine
PubChem CID21026729
Molecular FormulaC4H12N2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC NameN'-ethyl-N-methylmethanediamine
SMILESCCNCNC
InChIInChI=1S/C4H12N2/c1-3-6-4-5-2/h5-6H,3-4H2,1-2H3
InChIKeyWAJDOCBHBITZSJ-UHFFFAOYSA-N
XLogP-0.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-ethyl-N-methylmethanediamine 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'-ethyl-N-methylmethanediamine?
The IUPAC name of N'-ethyl-N-methylmethanediamine (CID 21026729) is N'-ethyl-N-methylmethanediamine.
What is the SMILES notation for N'-ethyl-N-methylmethanediamine?
The canonical SMILES for N'-ethyl-N-methylmethanediamine is CCNCNC.
What is the InChIKey of N'-ethyl-N-methylmethanediamine?
The InChIKey is WAJDOCBHBITZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2/c1-3-6-4-5-2/h5-6H,3-4H2,1-2H3.
What are the key properties of N'-ethyl-N-methylmethanediamine?
N'-ethyl-N-methylmethanediamine has a molecular weight of 88.15 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methylmethanediamine is sourced from PubChem (CID 21026729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).