propanal;propan-1-amine

C6H15NO — CID 159221941

IUPACpropanal;propan-1-amine
SMILESCCC=O.CCCN
InChIInChI=1S/C3H9N.C3H6O/c2*1-2-3-4/h2-4H2,1H3;3H,2H2,1H3
InChIKeyKRUNHARNONWVAI-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.95
Rot. Bonds2

About propanal;propan-1-amine

propanal;propan-1-amine (PubChem CID 159221941) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is propanal;propan-1-amine.

Molecular Properties

Compound Namepropanal;propan-1-amine
PubChem CID159221941
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Namepropanal;propan-1-amine
SMILESCCC=O.CCCN
InChIInChI=1S/C3H9N.C3H6O/c2*1-2-3-4/h2-4H2,1H3;3H,2H2,1H3
InChIKeyKRUNHARNONWVAI-UHFFFAOYSA-N
XLogP0.95
TPSA43.09 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 ≤ 50.95
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 propanal;propan-1-amine?
The IUPAC name of propanal;propan-1-amine (CID 159221941) is propanal;propan-1-amine.
What is the SMILES notation for propanal;propan-1-amine?
The canonical SMILES for propanal;propan-1-amine is CCC=O.CCCN.
What is the InChIKey of propanal;propan-1-amine?
The InChIKey is KRUNHARNONWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C3H6O/c2*1-2-3-4/h2-4H2,1H3;3H,2H2,1H3.
What are the key properties of propanal;propan-1-amine?
propanal;propan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanal;propan-1-amine is sourced from PubChem (CID 159221941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).