2-(diethylamino)butanal

C8H17NO — CID 57012052

IUPAC2-(diethylamino)butanal
SMILESCCC(C=O)N(CC)CC
InChIInChI=1S/C8H17NO/c1-4-8(7-10)9(5-2)6-3/h7-8H,4-6H2,1-3H3
InChIKeyUJRMEIJVOPHCGQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.31
Rot. Bonds5

About 2-(diethylamino)butanal

2-(diethylamino)butanal (PubChem CID 57012052) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(diethylamino)butanal.

Molecular Properties

Compound Name2-(diethylamino)butanal
PubChem CID57012052
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(diethylamino)butanal
SMILESCCC(C=O)N(CC)CC
InChIInChI=1S/C8H17NO/c1-4-8(7-10)9(5-2)6-3/h7-8H,4-6H2,1-3H3
InChIKeyUJRMEIJVOPHCGQ-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(diethylamino)acetaldehyde
CID 88821682
(E)-4-(diethylamino)hex-2-enamide;(E)-4-(diethylamino)-2-methylhex-2-enamide
CID 87433535
methanol;2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfanylamino]butanal
CID 142404640
N,N-diethylpentan-3-amine;hydrobromide
CID 175223065
2-[di(propan-2-yl)amino]pentanal
CID 54207099
2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal
CID 62276772
4-(diethylamino)-2-methylhept-2-enoic acid
CID 173094922
3-[benzyl(ethyl)amino]-4-oxobutanoic acid
CID 142656024
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
N,N-diethylpentan-3-amine;isocyanic acid
CID 88747360
4-(dimethylamino)hex-2-enoic acid
CID 173288981
2-(diethylamino)-3-methyl-4-oxobutanoic acid
CID 143106312

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)butanal?
The IUPAC name of 2-(diethylamino)butanal (CID 57012052) is 2-(diethylamino)butanal.
What is the SMILES notation for 2-(diethylamino)butanal?
The canonical SMILES for 2-(diethylamino)butanal is CCC(C=O)N(CC)CC.
What is the InChIKey of 2-(diethylamino)butanal?
The InChIKey is UJRMEIJVOPHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(7-10)9(5-2)6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-(diethylamino)butanal?
2-(diethylamino)butanal has a molecular weight of 143.23 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)butanal is sourced from PubChem (CID 57012052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).