acetaldehyde;N-ethylethanamine

C6H15NO — CID 18519863

IUPACacetaldehyde;N-ethylethanamine
SMILESCC=O.CCNCC
InChIInChI=1S/C4H11N.C2H4O/c1-3-5-4-2;1-2-3/h5H,3-4H2,1-2H3;2H,1H3
InChIKeyLDMVXTZMGGOSHT-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.82
Rot. Bonds2

About acetaldehyde;N-ethylethanamine

acetaldehyde;N-ethylethanamine (PubChem CID 18519863) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is acetaldehyde;N-ethylethanamine.

Molecular Properties

Compound Nameacetaldehyde;N-ethylethanamine
PubChem CID18519863
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Nameacetaldehyde;N-ethylethanamine
SMILESCC=O.CCNCC
InChIInChI=1S/C4H11N.C2H4O/c1-3-5-4-2;1-2-3/h5H,3-4H2,1-2H3;2H,1H3
InChIKeyLDMVXTZMGGOSHT-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-ethylethanamine?
The IUPAC name of acetaldehyde;N-ethylethanamine (CID 18519863) is acetaldehyde;N-ethylethanamine.
What is the SMILES notation for acetaldehyde;N-ethylethanamine?
The canonical SMILES for acetaldehyde;N-ethylethanamine is CC=O.CCNCC.
What is the InChIKey of acetaldehyde;N-ethylethanamine?
The InChIKey is LDMVXTZMGGOSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H4O/c1-3-5-4-2;1-2-3/h5H,3-4H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;N-ethylethanamine?
acetaldehyde;N-ethylethanamine has a molecular weight of 117.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-ethylethanamine is sourced from PubChem (CID 18519863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).