2-(propylamino)acetaldehyde

C5H11NO — CID 20548466

IUPAC2-(propylamino)acetaldehyde
SMILESCCCNCC=O
InChIInChI=1S/C5H11NO/c1-2-3-6-4-5-7/h5-6H,2-4H2,1H3
InChIKeyXLFRSZQTJOSMBQ-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.18
Rot. Bonds4

About 2-(propylamino)acetaldehyde

2-(propylamino)acetaldehyde (PubChem CID 20548466) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-(propylamino)acetaldehyde.

Molecular Properties

Compound Name2-(propylamino)acetaldehyde
PubChem CID20548466
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-(propylamino)acetaldehyde
SMILESCCCNCC=O
InChIInChI=1S/C5H11NO/c1-2-3-6-4-5-7/h5-6H,2-4H2,1H3
InChIKeyXLFRSZQTJOSMBQ-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Methylamino)acetaldehyde
CID 13316132
2-(Methylamino)propanal
CID 20499147
3-(Methylamino)propanal
CID 21254778
2-(Methylamino)butanal
CID 22954661
2-(Propylamino)propanal
CID 23405034
Amifostine Impurity 33
CID 89216634
2,2'-Azanediyldiacetaldehyde
CID 20268664
2-(2-Fluoroethylamino)acetaldehyde
CID 91464821
2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde
CID 174900742
(2S)-2-[[(2S)-2-aminopropyl]amino]propanal
CID 177693287
2-(4-Aminobutylamino)propanal
CID 129821291
2-(2-Oxoethylamino)acetaldehyde;hydrochloride
CID 71336398

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)acetaldehyde?
The IUPAC name of 2-(propylamino)acetaldehyde (CID 20548466) is 2-(propylamino)acetaldehyde.
What is the SMILES notation for 2-(propylamino)acetaldehyde?
The canonical SMILES for 2-(propylamino)acetaldehyde is CCCNCC=O.
What is the InChIKey of 2-(propylamino)acetaldehyde?
The InChIKey is XLFRSZQTJOSMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-3-6-4-5-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-(propylamino)acetaldehyde?
2-(propylamino)acetaldehyde has a molecular weight of 101.15 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)acetaldehyde is sourced from PubChem (CID 20548466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).