4-(ethylamino)-5-oxohexanal

C8H15NO2 — CID 155034018

IUPAC4-(ethylamino)-5-oxohexanal
SMILESCCNC(CCC=O)C(C)=O
InChIInChI=1S/C8H15NO2/c1-3-9-8(7(2)11)5-4-6-10/h6,8-9H,3-5H2,1-2H3
InChIKeyWQAWWNUJFLRKEM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.53
Rot. Bonds6

About 4-(ethylamino)-5-oxohexanal

4-(ethylamino)-5-oxohexanal (PubChem CID 155034018) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(ethylamino)-5-oxohexanal.

Molecular Properties

Compound Name4-(ethylamino)-5-oxohexanal
PubChem CID155034018
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(ethylamino)-5-oxohexanal
SMILESCCNC(CCC=O)C(C)=O
InChIInChI=1S/C8H15NO2/c1-3-9-8(7(2)11)5-4-6-10/h6,8-9H,3-5H2,1-2H3
InChIKeyWQAWWNUJFLRKEM-UHFFFAOYSA-N
XLogP0.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxohexan-3-yl)propanamide
CID 177190618
ethane;3-(ethylamino)hexan-2-one
CID 142933892
3,7-bis(ethylamino)heptan-2-one
CID 143994128
(3S)-3-(ethylamino)-7-(methylamino)heptan-2-one
CID 122647658
N-(2,6-dioxohexan-3-yl)-6-(sulfanylamino)hexanamide
CID 166964447
2-(butanoylamino)-5-oxopentanoic acid
CID 123955857
(2S)-2-(butanoylamino)-5-oxopentanoic acid
CID 174872507
N,2-dimethyl-5-oxopentanamide
CID 20693317
5-(ethylamino)-4,22-dioxodocosanoic acid
CID 175446562
N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide
CID 166903543
ethyl (2S)-2-(methylamino)-5-oxopentanoate
CID 90464731
N-[(3S)-1,4-dioxopentan-3-yl]propanamide
CID 155017240

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-5-oxohexanal?
The IUPAC name of 4-(ethylamino)-5-oxohexanal (CID 155034018) is 4-(ethylamino)-5-oxohexanal.
What is the SMILES notation for 4-(ethylamino)-5-oxohexanal?
The canonical SMILES for 4-(ethylamino)-5-oxohexanal is CCNC(CCC=O)C(C)=O.
What is the InChIKey of 4-(ethylamino)-5-oxohexanal?
The InChIKey is WQAWWNUJFLRKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-9-8(7(2)11)5-4-6-10/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 4-(ethylamino)-5-oxohexanal?
4-(ethylamino)-5-oxohexanal has a molecular weight of 157.21 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-5-oxohexanal is sourced from PubChem (CID 155034018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).