2-(propylamino)propanal

C6H13NO — CID 23405034

IUPAC2-(propylamino)propanal
SMILESCCCNC(C)C=O
InChIInChI=1S/C6H13NO/c1-3-4-7-6(2)5-8/h5-7H,3-4H2,1-2H3
InChIKeyHSPGSVFLNAEIRX-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.57
Rot. Bonds4

About 2-(propylamino)propanal

2-(propylamino)propanal (PubChem CID 23405034) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(propylamino)propanal.

Molecular Properties

Compound Name2-(propylamino)propanal
PubChem CID23405034
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(propylamino)propanal
SMILESCCCNC(C)C=O
InChIInChI=1S/C6H13NO/c1-3-4-7-6(2)5-8/h5-7H,3-4H2,1-2H3
InChIKeyHSPGSVFLNAEIRX-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.57
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 2-(propylamino)propanal?
The IUPAC name of 2-(propylamino)propanal (CID 23405034) is 2-(propylamino)propanal.
What is the SMILES notation for 2-(propylamino)propanal?
The canonical SMILES for 2-(propylamino)propanal is CCCNC(C)C=O.
What is the InChIKey of 2-(propylamino)propanal?
The InChIKey is HSPGSVFLNAEIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-7-6(2)5-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(propylamino)propanal?
2-(propylamino)propanal has a molecular weight of 115.18 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)propanal is sourced from PubChem (CID 23405034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).