5-aminopentyl anthracene-2-carboxylate

C20H21NO2 — CID 71321351

IUPAC5-aminopentyl anthracene-2-carboxylate
SMILESNCCCCCOC(=O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C20H21NO2/c21-10-4-1-5-11-23-20(22)18-9-8-17-12-15-6-2-3-7-16(15)13-19(17)14-18/h2-3,6-9,12-14H,1,4-5,10-11,21H2
InChIKeyRLUKKFICLKLGFF-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.28
Rot. Bonds6

About 5-aminopentyl anthracene-2-carboxylate

5-aminopentyl anthracene-2-carboxylate (PubChem CID 71321351) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-aminopentyl anthracene-2-carboxylate.

Molecular Properties

Compound Name5-aminopentyl anthracene-2-carboxylate
PubChem CID71321351
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name5-aminopentyl anthracene-2-carboxylate
SMILESNCCCCCOC(=O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C20H21NO2/c21-10-4-1-5-11-23-20(22)18-9-8-17-12-15-6-2-3-7-16(15)13-19(17)14-18/h2-3,6-9,12-14H,1,4-5,10-11,21H2
InChIKeyRLUKKFICLKLGFF-UHFFFAOYSA-N
XLogP4.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-aminopentyl anthracene-2-carboxylate 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-(tridecoxymethoxy)ethyl anthracene-2-carboxylate
CID 122413814
11-aminoundecyl 9,10-dioxoanthracene-2-carboxylate
CID 10047817
6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate
CID 130432808
2-propoxyethyl anthracene-2-carboxylate
CID 86199695
3-aminopropyl benzoate;ethane
CID 144783067
octyl 6-hydroxynaphthalene-2-carboxylate
CID 54286697
5-(3-bromobenzoyl)oxypentyl 3-bromobenzoate
CID 91694636
octyl 6-[1-(6-octoxycarbonylnaphthalen-2-yl)oxyethoxy]naphthalene-2-carboxylate
CID 141401301
octyl 6-(bromomethyl)naphthalene-2-carboxylate
CID 86195191
hexacene-2-carboxylic acid
CID 87430666
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
3-[5-(3-carboxybenzoyl)oxypentoxycarbonyl]benzoic acid
CID 70459829

Frequently Asked Questions

What is the IUPAC name of 5-aminopentyl anthracene-2-carboxylate?
The IUPAC name of 5-aminopentyl anthracene-2-carboxylate (CID 71321351) is 5-aminopentyl anthracene-2-carboxylate.
What is the SMILES notation for 5-aminopentyl anthracene-2-carboxylate?
The canonical SMILES for 5-aminopentyl anthracene-2-carboxylate is NCCCCCOC(=O)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 5-aminopentyl anthracene-2-carboxylate?
The InChIKey is RLUKKFICLKLGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c21-10-4-1-5-11-23-20(22)18-9-8-17-12-15-6-2-3-7-16(15)13-19(17)14-18/h2-3,6-9,12-14H,1,4-5,10-11,21H2.
What are the key properties of 5-aminopentyl anthracene-2-carboxylate?
5-aminopentyl anthracene-2-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentyl anthracene-2-carboxylate is sourced from PubChem (CID 71321351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).