N-ethyl-2-methyliminoethanamine

C5H12N2 — CID 87839319

IUPACN-ethyl-2-methyliminoethanamine
SMILESCCNC/C=N/C
InChIInChI=1S/C5H12N2/c1-3-7-5-4-6-2/h4,7H,3,5H2,1-2H3/b6-4+
InChIKeyHALVJFMEOOBLMQ-GQCTYLIASA-N
MW100.16 g/mol
LogP0.30
Rot. Bonds3

About N-ethyl-2-methyliminoethanamine

N-ethyl-2-methyliminoethanamine (PubChem CID 87839319) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-ethyl-2-methyliminoethanamine.

Molecular Properties

Compound NameN-ethyl-2-methyliminoethanamine
PubChem CID87839319
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-ethyl-2-methyliminoethanamine
SMILESCCNC/C=N/C
InChIInChI=1S/C5H12N2/c1-3-7-5-4-6-2/h4,7H,3,5H2,1-2H3/b6-4+
InChIKeyHALVJFMEOOBLMQ-GQCTYLIASA-N
XLogP0.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyliminoethanamine?
The IUPAC name of N-ethyl-2-methyliminoethanamine (CID 87839319) is N-ethyl-2-methyliminoethanamine.
What is the SMILES notation for N-ethyl-2-methyliminoethanamine?
The canonical SMILES for N-ethyl-2-methyliminoethanamine is CCNC/C=N/C.
What is the InChIKey of N-ethyl-2-methyliminoethanamine?
The InChIKey is HALVJFMEOOBLMQ-GQCTYLIASA-N. The full InChI is InChI=1S/C5H12N2/c1-3-7-5-4-6-2/h4,7H,3,5H2,1-2H3/b6-4+.
What are the key properties of N-ethyl-2-methyliminoethanamine?
N-ethyl-2-methyliminoethanamine has a molecular weight of 100.16 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyliminoethanamine is sourced from PubChem (CID 87839319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).