(2S)-2-(ethylamino)propanal

C5H11NO — CID 54567079

IUPAC(2S)-2-(ethylamino)propanal
SMILESCCN[C@@H](C)C=O
InChIInChI=1S/C5H11NO/c1-3-6-5(2)4-7/h4-6H,3H2,1-2H3/t5-/m0/s1
InChIKeyDNGJNKKSGBGUSH-YFKPBYRVSA-N
MW101.15 g/mol
LogP0.18
Rot. Bonds3

About (2S)-2-(ethylamino)propanal

(2S)-2-(ethylamino)propanal (PubChem CID 54567079) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (2S)-2-(ethylamino)propanal.

Molecular Properties

Compound Name(2S)-2-(ethylamino)propanal
PubChem CID54567079
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(2S)-2-(ethylamino)propanal
SMILESCCN[C@@H](C)C=O
InChIInChI=1S/C5H11NO/c1-3-6-5(2)4-7/h4-6H,3H2,1-2H3/t5-/m0/s1
InChIKeyDNGJNKKSGBGUSH-YFKPBYRVSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

(2R)-2-(ethylamino)-3-sulfanylpropanal
CID 91407300
(2S)-2-(ethoxyamino)propanal
CID 173309058
2-(iodoamino)propanal
CID 89241681
N-[1-(ethylamino)-2-oxoethyl]acetamide
CID 173197035
ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
CID 142449079
N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide
CID 144997349
1,1-diethyl-3-[(2S)-1-oxopropan-2-yl]urea
CID 87454696
1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
CID 162034687
(1R)-N-ethyl-1-phosphanylethanamine
CID 121458893
2-[dimethoxy(methyl)silyl]oxy-2-(ethylamino)acetaldehyde
CID 150382408
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478
N-ethyl-5-(ethylideneamino)pent-3-en-2-amine
CID 138511224

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)propanal?
The IUPAC name of (2S)-2-(ethylamino)propanal (CID 54567079) is (2S)-2-(ethylamino)propanal.
What is the SMILES notation for (2S)-2-(ethylamino)propanal?
The canonical SMILES for (2S)-2-(ethylamino)propanal is CCN[C@@H](C)C=O.
What is the InChIKey of (2S)-2-(ethylamino)propanal?
The InChIKey is DNGJNKKSGBGUSH-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-6-5(2)4-7/h4-6H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)propanal?
(2S)-2-(ethylamino)propanal has a molecular weight of 101.15 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)propanal is sourced from PubChem (CID 54567079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).