non-2-ynyl 8-(2-hydroxyethylamino)octanoate

C19H35NO3 — CID 164552768

IUPACnon-2-ynyl 8-(2-hydroxyethylamino)octanoate
SMILESCCCCCCC#CCOC(=O)CCCCCCCNCCO
InChIInChI=1S/C19H35NO3/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,2-9,11-12,14-18H2,1H3
InChIKeyADIKFJPGDPQQBW-UHFFFAOYSA-N
MW325.49 g/mol
LogP3.43
Rot. Bonds15

About non-2-ynyl 8-(2-hydroxyethylamino)octanoate

non-2-ynyl 8-(2-hydroxyethylamino)octanoate (PubChem CID 164552768) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is non-2-ynyl 8-(2-hydroxyethylamino)octanoate.

Molecular Properties

Compound Namenon-2-ynyl 8-(2-hydroxyethylamino)octanoate
PubChem CID164552768
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Namenon-2-ynyl 8-(2-hydroxyethylamino)octanoate
SMILESCCCCCCC#CCOC(=O)CCCCCCCNCCO
InChIInChI=1S/C19H35NO3/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,2-9,11-12,14-18H2,1H3
InChIKeyADIKFJPGDPQQBW-UHFFFAOYSA-N
XLogP3.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze non-2-ynyl 8-(2-hydroxyethylamino)octanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hex-2-ynyl octanoate
CID 175943917
hept-2-ynyl hexanoate
CID 175496353
nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
2-octyldecyl 7-(2-hydroxyethylamino)heptanoate
CID 169317647
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
methyl octadec-9-ynoate
CID 534587

Frequently Asked Questions

What is the IUPAC name of non-2-ynyl 8-(2-hydroxyethylamino)octanoate?
The IUPAC name of non-2-ynyl 8-(2-hydroxyethylamino)octanoate (CID 164552768) is non-2-ynyl 8-(2-hydroxyethylamino)octanoate.
What is the SMILES notation for non-2-ynyl 8-(2-hydroxyethylamino)octanoate?
The canonical SMILES for non-2-ynyl 8-(2-hydroxyethylamino)octanoate is CCCCCCC#CCOC(=O)CCCCCCCNCCO.
What is the InChIKey of non-2-ynyl 8-(2-hydroxyethylamino)octanoate?
The InChIKey is ADIKFJPGDPQQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/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,2-9,11-12,14-18H2,1H3.
What are the key properties of non-2-ynyl 8-(2-hydroxyethylamino)octanoate?
non-2-ynyl 8-(2-hydroxyethylamino)octanoate has a molecular weight of 325.49 g/mol, XLogP of 3.43, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-ynyl 8-(2-hydroxyethylamino)octanoate is sourced from PubChem (CID 164552768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).