1-(ethylideneamino)-N-methylethanamine

C5H12N2 — CID 91518434

IUPAC1-(ethylideneamino)-N-methylethanamine
SMILESCC=NC(C)NC
InChIInChI=1S/C5H12N2/c1-4-7-5(2)6-3/h4-6H,1-3H3
InChIKeyXFOQMMILTDWWTM-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.64
Rot. Bonds2

About 1-(ethylideneamino)-N-methylethanamine

1-(ethylideneamino)-N-methylethanamine (PubChem CID 91518434) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 1-(ethylideneamino)-N-methylethanamine.

Molecular Properties

Compound Name1-(ethylideneamino)-N-methylethanamine
PubChem CID91518434
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name1-(ethylideneamino)-N-methylethanamine
SMILESCC=NC(C)NC
InChIInChI=1S/C5H12N2/c1-4-7-5(2)6-3/h4-6H,1-3H3
InChIKeyXFOQMMILTDWWTM-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(ethylideneamino)-N-methylethanamine 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 1-(ethylideneamino)-N-methylethanamine?
The IUPAC name of 1-(ethylideneamino)-N-methylethanamine (CID 91518434) is 1-(ethylideneamino)-N-methylethanamine.
What is the SMILES notation for 1-(ethylideneamino)-N-methylethanamine?
The canonical SMILES for 1-(ethylideneamino)-N-methylethanamine is CC=NC(C)NC.
What is the InChIKey of 1-(ethylideneamino)-N-methylethanamine?
The InChIKey is XFOQMMILTDWWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-7-5(2)6-3/h4-6H,1-3H3.
What are the key properties of 1-(ethylideneamino)-N-methylethanamine?
1-(ethylideneamino)-N-methylethanamine has a molecular weight of 100.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylideneamino)-N-methylethanamine is sourced from PubChem (CID 91518434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).