nonyl 8-(2-hydroxyethylamino)octanoate

C19H39NO3 — CID 126697653

IUPACnonyl 8-(2-hydroxyethylamino)octanoate
SMILESCCCCCCCCCOC(=O)CCCCCCCNCCO
InChIInChI=1S/C19H39NO3/c1-2-3-4-5-6-10-13-18-23-19(22)14-11-8-7-9-12-15-20-16-17-21/h20-21H,2-18H2,1H3
InChIKeyWVLFWTWZTYIFBA-UHFFFAOYSA-N
MW329.53 g/mol
LogP4.20
Rot. Bonds18

About nonyl 8-(2-hydroxyethylamino)octanoate

nonyl 8-(2-hydroxyethylamino)octanoate (PubChem CID 126697653) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is nonyl 8-(2-hydroxyethylamino)octanoate.

Molecular Properties

Compound Namenonyl 8-(2-hydroxyethylamino)octanoate
PubChem CID126697653
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Namenonyl 8-(2-hydroxyethylamino)octanoate
SMILESCCCCCCCCCOC(=O)CCCCCCCNCCO
InChIInChI=1S/C19H39NO3/c1-2-3-4-5-6-10-13-18-23-19(22)14-11-8-7-9-12-15-20-16-17-21/h20-21H,2-18H2,1H3
InChIKeyWVLFWTWZTYIFBA-UHFFFAOYSA-N
XLogP4.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
undecyl 6-(3-hydroxypropylamino)hexanoate
CID 164552790
pentyl 9-(3-hydroxypropylamino)nonanoate
CID 171836826
nonyl 10-(3-hydroxypropylamino)decanoate
CID 164552702
pentyl 9-(4-hydroxybutylamino)nonanoate
CID 171836775
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
dodecyl 6-(5-aminopentylamino)hexanoate
CID 58105631
8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid
CID 151935733
heptyl 4-(6-aminohexylamino)butanoate
CID 175415497
12-hydroxydodecyl icosanoate
CID 170849788

Frequently Asked Questions

What is the IUPAC name of nonyl 8-(2-hydroxyethylamino)octanoate?
The IUPAC name of nonyl 8-(2-hydroxyethylamino)octanoate (CID 126697653) is nonyl 8-(2-hydroxyethylamino)octanoate.
What is the SMILES notation for nonyl 8-(2-hydroxyethylamino)octanoate?
The canonical SMILES for nonyl 8-(2-hydroxyethylamino)octanoate is CCCCCCCCCOC(=O)CCCCCCCNCCO.
What is the InChIKey of nonyl 8-(2-hydroxyethylamino)octanoate?
The InChIKey is WVLFWTWZTYIFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-2-3-4-5-6-10-13-18-23-19(22)14-11-8-7-9-12-15-20-16-17-21/h20-21H,2-18H2,1H3.
What are the key properties of nonyl 8-(2-hydroxyethylamino)octanoate?
nonyl 8-(2-hydroxyethylamino)octanoate has a molecular weight of 329.53 g/mol, XLogP of 4.20, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 8-(2-hydroxyethylamino)octanoate is sourced from PubChem (CID 126697653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).