7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one

C16H33NO2 — CID 171562657

IUPAC7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
SMILESCCN(CCCCCCCO)CCCCCC(C)=O
InChIInChI=1S/C16H33NO2/c1-3-17(13-9-5-4-6-11-15-18)14-10-7-8-12-16(2)19/h18H,3-15H2,1-2H3
InChIKeyLIUWYHASKJJXEZ-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.40
Rot. Bonds14

About 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one

7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one (PubChem CID 171562657) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one.

Molecular Properties

Compound Name7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
PubChem CID171562657
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
SMILESCCN(CCCCCCCO)CCCCCC(C)=O
InChIInChI=1S/C16H33NO2/c1-3-17(13-9-5-4-6-11-15-18)14-10-7-8-12-16(2)19/h18H,3-15H2,1-2H3
InChIKeyLIUWYHASKJJXEZ-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[ethyl(propyl)amino]hexan-2-one
CID 43792940
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
21-hydroxyhenicosan-2-one
CID 153324955
19-hydroxynonadecan-2-one
CID 123829227
6-[bis(2-hydroxyethyl)amino]hexan-2-one
CID 62050853
5-[ethyl(propyl)amino]pentan-2-one
CID 43792941
ethene;9-hydroxynonan-2-one
CID 23344517
1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one
CID 171836778
2-[ethyl(5-oxohexyl)amino]-N-methylacetamide
CID 62052639
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
5-hydroxypentan-2-one
CID 162230963
docosane-2,21-dione
CID 537416

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one?
The IUPAC name of 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one (CID 171562657) is 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one.
What is the SMILES notation for 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one?
The canonical SMILES for 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one is CCN(CCCCCCCO)CCCCCC(C)=O.
What is the InChIKey of 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one?
The InChIKey is LIUWYHASKJJXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-17(13-9-5-4-6-11-15-18)14-10-7-8-12-16(2)19/h18H,3-15H2,1-2H3.
What are the key properties of 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one?
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one has a molecular weight of 271.44 g/mol, XLogP of 3.40, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one is sourced from PubChem (CID 171562657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).