2-(3-aminopropylamino)acetaldehyde

C5H12N2O — CID 89216634

IUPAC2-(3-aminopropylamino)acetaldehyde
SMILESNCCCNCC=O
InChIInChI=1S/C5H12N2O/c6-2-1-3-7-4-5-8/h5,7H,1-4,6H2
InChIKeyTZADVZIAKZTSBV-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.88
Rot. Bonds5

About 2-(3-aminopropylamino)acetaldehyde

2-(3-aminopropylamino)acetaldehyde (PubChem CID 89216634) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(3-aminopropylamino)acetaldehyde.

Molecular Properties

Compound Name2-(3-aminopropylamino)acetaldehyde
PubChem CID89216634
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-(3-aminopropylamino)acetaldehyde
SMILESNCCCNCC=O
InChIInChI=1S/C5H12N2O/c6-2-1-3-7-4-5-8/h5,7H,1-4,6H2
InChIKeyTZADVZIAKZTSBV-UHFFFAOYSA-N
XLogP-0.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.88
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'}

Analyze 2-(3-aminopropylamino)acetaldehyde 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 2-(3-aminopropylamino)acetaldehyde?
The IUPAC name of 2-(3-aminopropylamino)acetaldehyde (CID 89216634) is 2-(3-aminopropylamino)acetaldehyde.
What is the SMILES notation for 2-(3-aminopropylamino)acetaldehyde?
The canonical SMILES for 2-(3-aminopropylamino)acetaldehyde is NCCCNCC=O.
What is the InChIKey of 2-(3-aminopropylamino)acetaldehyde?
The InChIKey is TZADVZIAKZTSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-2-1-3-7-4-5-8/h5,7H,1-4,6H2.
What are the key properties of 2-(3-aminopropylamino)acetaldehyde?
2-(3-aminopropylamino)acetaldehyde has a molecular weight of 116.16 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)acetaldehyde is sourced from PubChem (CID 89216634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).