6-(octan-2-ylamino)-5-oxohexanal

C14H27NO2 — CID 142832135

IUPAC6-(octan-2-ylamino)-5-oxohexanal
SMILESCCCCCCC(C)NCC(=O)CCCC=O
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-9-13(2)15-12-14(17)10-7-8-11-16/h11,13,15H,3-10,12H2,1-2H3
InChIKeySOQBGFQGYVBUFT-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.87
Rot. Bonds12

About 6-(octan-2-ylamino)-5-oxohexanal

6-(octan-2-ylamino)-5-oxohexanal (PubChem CID 142832135) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-(octan-2-ylamino)-5-oxohexanal.

Molecular Properties

Compound Name6-(octan-2-ylamino)-5-oxohexanal
PubChem CID142832135
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-(octan-2-ylamino)-5-oxohexanal
SMILESCCCCCCC(C)NCC(=O)CCCC=O
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-9-13(2)15-12-14(17)10-7-8-11-16/h11,13,15H,3-10,12H2,1-2H3
InChIKeySOQBGFQGYVBUFT-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

9-oxotetradecanal
CID 13272684
8-[hydroxy(12-oxononadecan-2-yl)amino]octanal
CID 142378829
sodium (2S)-2-[[(Z)-2-oxononadec-10-enyl]amino]propanoate
CID 141394759
carbonic acid;dodecanal
CID 87947916
2-methyldecanal;undecanal
CID 159845344
N-octadecan-2-ylhexadecanamide
CID 87600664
10-propan-2-ylnonadecanal
CID 167408636
2-methylundecanal;tetradecanal
CID 87951053
N-heptan-2-yldodecanamide
CID 3484810
decanal;decane
CID 157361056
5,9-dimethylhexadecanal
CID 123900450
19-oxodocosanal
CID 54396259

Frequently Asked Questions

What is the IUPAC name of 6-(octan-2-ylamino)-5-oxohexanal?
The IUPAC name of 6-(octan-2-ylamino)-5-oxohexanal (CID 142832135) is 6-(octan-2-ylamino)-5-oxohexanal.
What is the SMILES notation for 6-(octan-2-ylamino)-5-oxohexanal?
The canonical SMILES for 6-(octan-2-ylamino)-5-oxohexanal is CCCCCCC(C)NCC(=O)CCCC=O.
What is the InChIKey of 6-(octan-2-ylamino)-5-oxohexanal?
The InChIKey is SOQBGFQGYVBUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-9-13(2)15-12-14(17)10-7-8-11-16/h11,13,15H,3-10,12H2,1-2H3.
What are the key properties of 6-(octan-2-ylamino)-5-oxohexanal?
6-(octan-2-ylamino)-5-oxohexanal has a molecular weight of 241.37 g/mol, XLogP of 2.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(octan-2-ylamino)-5-oxohexanal is sourced from PubChem (CID 142832135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).