non-6-enyl 8-(2-hydroxyethylamino)octanoate

C19H37NO3 — CID 175464697

IUPACnon-6-enyl 8-(2-hydroxyethylamino)octanoate
SMILESCCC=CCCCCCOC(=O)CCCCCCCNCCO
InChIInChI=1S/C19H37NO3/c1-2-3-4-5-6-10-13-18-23-19(22)14-11-8-7-9-12-15-20-16-17-21/h3-4,20-21H,2,5-18H2,1H3
InChIKeyGIAJGBKNGPFDBY-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.98
Rot. Bonds17

About non-6-enyl 8-(2-hydroxyethylamino)octanoate

non-6-enyl 8-(2-hydroxyethylamino)octanoate (PubChem CID 175464697) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is non-6-enyl 8-(2-hydroxyethylamino)octanoate.

Molecular Properties

Compound Namenon-6-enyl 8-(2-hydroxyethylamino)octanoate
PubChem CID175464697
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Namenon-6-enyl 8-(2-hydroxyethylamino)octanoate
SMILESCCC=CCCCCCOC(=O)CCCCCCCNCCO
InChIInChI=1S/C19H37NO3/c1-2-3-4-5-6-10-13-18-23-19(22)14-11-8-7-9-12-15-20-16-17-21/h3-4,20-21H,2,5-18H2,1H3
InChIKeyGIAJGBKNGPFDBY-UHFFFAOYSA-N
XLogP3.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369
nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
3-(3-octadec-9-enoyloxypropylamino)propyl octadec-9-enoate
CID 123167253
2-[[(Z)-octadec-9-enyl]amino]ethyl (Z)-octadec-9-enoate
CID 169290665
ethyl 3-[[(Z)-dodec-9-enyl]amino]propanoate
CID 155420354
2-hydroxyethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 87552666
2-[2-[(Z)-dodec-9-enoyl]oxyethylamino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 142587431
decyl octadeca-9,12,15-trienoate
CID 54331899
[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] tetradecanoate
CID 56935933
[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] octadecanoate
CID 56935960
[(9E,12E)-octadeca-9,12-dienyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 91750337

Frequently Asked Questions

What is the IUPAC name of non-6-enyl 8-(2-hydroxyethylamino)octanoate?
The IUPAC name of non-6-enyl 8-(2-hydroxyethylamino)octanoate (CID 175464697) is non-6-enyl 8-(2-hydroxyethylamino)octanoate.
What is the SMILES notation for non-6-enyl 8-(2-hydroxyethylamino)octanoate?
The canonical SMILES for non-6-enyl 8-(2-hydroxyethylamino)octanoate is CCC=CCCCCCOC(=O)CCCCCCCNCCO.
What is the InChIKey of non-6-enyl 8-(2-hydroxyethylamino)octanoate?
The InChIKey is GIAJGBKNGPFDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-2-3-4-5-6-10-13-18-23-19(22)14-11-8-7-9-12-15-20-16-17-21/h3-4,20-21H,2,5-18H2,1H3.
What are the key properties of non-6-enyl 8-(2-hydroxyethylamino)octanoate?
non-6-enyl 8-(2-hydroxyethylamino)octanoate has a molecular weight of 327.51 g/mol, XLogP of 3.98, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for non-6-enyl 8-(2-hydroxyethylamino)octanoate is sourced from PubChem (CID 175464697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).