2-hydroxy-2-(propylamino)propanal

C6H13NO2 — CID 173197010

IUPAC2-hydroxy-2-(propylamino)propanal
SMILESCCCNC(C)(O)C=O
InChIInChI=1S/C6H13NO2/c1-3-4-7-6(2,9)5-8/h5,7,9H,3-4H2,1-2H3
InChIKeyACLIWZIJNWADSP-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.11
Rot. Bonds4

About 2-hydroxy-2-(propylamino)propanal

2-hydroxy-2-(propylamino)propanal (PubChem CID 173197010) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-hydroxy-2-(propylamino)propanal.

Molecular Properties

Compound Name2-hydroxy-2-(propylamino)propanal
PubChem CID173197010
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-hydroxy-2-(propylamino)propanal
SMILESCCCNC(C)(O)C=O
InChIInChI=1S/C6H13NO2/c1-3-4-7-6(2,9)5-8/h5,7,9H,3-4H2,1-2H3
InChIKeyACLIWZIJNWADSP-UHFFFAOYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-(propylamino)butanoic acid
CID 65235823
1-N,1-N'-dipropyl-1-silylethane-1,1-diamine
CID 174202627
2-methyl-2-phosphanylpentanal
CID 145198471
2-methyl-3-(propylamino)prop-2-enal;hydrochloride
CID 175310353
2-hydroxy-2-methylundecanal
CID 66038378
N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine
CID 74050975
2-N-methyl-1-N,2-N'-dipropylpropane-1,2,2-triamine
CID 149112157
ethyl 3-methyl-3-(propylamino)butanoate
CID 65236098
butane;propane-2,2-diol
CID 142587058
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-(2-hydroxybutan-2-yl)formamide
CID 57325343
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(propylamino)propanal?
The IUPAC name of 2-hydroxy-2-(propylamino)propanal (CID 173197010) is 2-hydroxy-2-(propylamino)propanal.
What is the SMILES notation for 2-hydroxy-2-(propylamino)propanal?
The canonical SMILES for 2-hydroxy-2-(propylamino)propanal is CCCNC(C)(O)C=O.
What is the InChIKey of 2-hydroxy-2-(propylamino)propanal?
The InChIKey is ACLIWZIJNWADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-4-7-6(2,9)5-8/h5,7,9H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-2-(propylamino)propanal?
2-hydroxy-2-(propylamino)propanal has a molecular weight of 131.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(propylamino)propanal is sourced from PubChem (CID 173197010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).