2-(2-aminoethylamino)acetaldehyde

C4H10N2O — CID 18358430

IUPAC2-(2-aminoethylamino)acetaldehyde
SMILESNCCNCC=O
InChIInChI=1S/C4H10N2O/c5-1-2-6-3-4-7/h4,6H,1-3,5H2
InChIKeyFEGRFLSNPCOSRJ-UHFFFAOYSA-N
MW102.14 g/mol
LogP-1.27
Rot. Bonds4

About 2-(2-aminoethylamino)acetaldehyde

2-(2-aminoethylamino)acetaldehyde (PubChem CID 18358430) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 2-(2-aminoethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(2-aminoethylamino)acetaldehyde
PubChem CID18358430
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name2-(2-aminoethylamino)acetaldehyde
SMILESNCCNCC=O
InChIInChI=1S/C4H10N2O/c5-1-2-6-3-4-7/h4,6H,1-3,5H2
InChIKeyFEGRFLSNPCOSRJ-UHFFFAOYSA-N
XLogP-1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)acetaldehyde?
The IUPAC name of 2-(2-aminoethylamino)acetaldehyde (CID 18358430) is 2-(2-aminoethylamino)acetaldehyde.
What is the SMILES notation for 2-(2-aminoethylamino)acetaldehyde?
The canonical SMILES for 2-(2-aminoethylamino)acetaldehyde is NCCNCC=O.
What is the InChIKey of 2-(2-aminoethylamino)acetaldehyde?
The InChIKey is FEGRFLSNPCOSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c5-1-2-6-3-4-7/h4,6H,1-3,5H2.
What are the key properties of 2-(2-aminoethylamino)acetaldehyde?
2-(2-aminoethylamino)acetaldehyde has a molecular weight of 102.14 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)acetaldehyde is sourced from PubChem (CID 18358430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).