2-(2-aminoethyl)octadecanoic acid

C20H41NO2 — CID 54025424

IUPAC2-(2-aminoethyl)octadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(CCN)C(=O)O
InChIInChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-21)20(22)23/h19H,2-18,21H2,1H3,(H,22,23)
InChIKeyLBVIZOJHPPIEKD-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.91
Rot. Bonds18

About 2-(2-aminoethyl)octadecanoic acid

2-(2-aminoethyl)octadecanoic acid (PubChem CID 54025424) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 2-(2-aminoethyl)octadecanoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)octadecanoic acid
PubChem CID54025424
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name2-(2-aminoethyl)octadecanoic acid
SMILESCCCCCCCCCCCCCCCCC(CCN)C(=O)O
InChIInChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-21)20(22)23/h19H,2-18,21H2,1H3,(H,22,23)
InChIKeyLBVIZOJHPPIEKD-UHFFFAOYSA-N
XLogP5.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)octadecanoic acid 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

2-(2-aminoethyl)nonanoic acid
CID 104680899
2-nonylpentadecanoic acid
CID 139605044
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)octadecanoic acid?
The IUPAC name of 2-(2-aminoethyl)octadecanoic acid (CID 54025424) is 2-(2-aminoethyl)octadecanoic acid.
What is the SMILES notation for 2-(2-aminoethyl)octadecanoic acid?
The canonical SMILES for 2-(2-aminoethyl)octadecanoic acid is CCCCCCCCCCCCCCCCC(CCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)octadecanoic acid?
The InChIKey is LBVIZOJHPPIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-21)20(22)23/h19H,2-18,21H2,1H3,(H,22,23).
What are the key properties of 2-(2-aminoethyl)octadecanoic acid?
2-(2-aminoethyl)octadecanoic acid has a molecular weight of 327.55 g/mol, XLogP of 5.91, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)octadecanoic acid is sourced from PubChem (CID 54025424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).