7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate

C22H27NO2 — CID 38988248

💊View drug profile → amineptine
IUPAC7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate
SMILESO=C([O-])CCCCCC[NH2+]C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)
InChIKeyONNOFKFOZAJDHT-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.14
Rot. Bonds8

About 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate

7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate (PubChem CID 38988248) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate.

Molecular Properties

Compound Name7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate
PubChem CID38988248
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate
SMILESO=C([O-])CCCCCC[NH2+]C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)
InChIKeyONNOFKFOZAJDHT-UHFFFAOYSA-N
XLogP2.14
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate 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

Amineptine
CID 34870
2-(benzhydrylcarbamoyl)cyclohexane-1-carboxylic Acid
CID 4314943
3-Phenyl-3-phenylacetylamino-propionic acid
CID 3102733
Amineptine hydrochloride
CID 44558536
Ethyl 4-{[(2-methylbenzyl)amino]methyl}cyclohexanecarboxylate
CID 16193439
2-(Benzylamino)-3-cyclohexylpropanoic acid
CID 80401677
(S)-2-Benzylamino-3-phenyl-propionic acid tert-butyl ester
CID 10710179
L-Phenylalanine, N-(phenylmethyl)-
CID 11832004
7-[(1R,2S)-2-(benzylamino)cyclopentyl]heptanoic acid
CID 54045045
Acetic acid, 2-phenyl-2-(o-xylylamino)-
CID 45157
Benzeneacetamide, N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-
CID 215135
Zafuleptine
CID 68789

Frequently Asked Questions

What is the IUPAC name of 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate?
The IUPAC name of 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate (CID 38988248) is 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate.
What is the SMILES notation for 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate?
The canonical SMILES for 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate is O=C([O-])CCCCCC[NH2+]C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate?
The InChIKey is ONNOFKFOZAJDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25).
What are the key properties of 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate?
7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate has a molecular weight of 337.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazaniumyl)heptanoate is sourced from PubChem (CID 38988248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).