N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid

C23H25NO4 — CID 3039888

IUPACN,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid
SMILESCN(C)C1CCC2(C1)c1ccccc1C=Cc1ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C21H23N.C2H2O4/c1-22(2)18-13-14-21(15-18)19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)21;3-1(4)2(5)6/h3-12,18H,13-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXZZZMSXDJPZXLG-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.73
Rot. Bonds1

About N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid

N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid (PubChem CID 3039888) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid
PubChem CID3039888
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC NameN,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid
SMILESCN(C)C1CCC2(C1)c1ccccc1C=Cc1ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C21H23N.C2H2O4/c1-22(2)18-13-14-21(15-18)19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)21;3-1(4)2(5)6/h3-12,18H,13-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXZZZMSXDJPZXLG-UHFFFAOYSA-N
XLogP3.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid?
The IUPAC name of N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid (CID 3039888) is N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid.
What is the SMILES notation for N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid?
The canonical SMILES for N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid is CN(C)C1CCC2(C1)c1ccccc1C=Cc1ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid?
The InChIKey is XZZZMSXDJPZXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N.C2H2O4/c1-22(2)18-13-14-21(15-18)19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)21;3-1(4)2(5)6/h3-12,18H,13-15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid?
N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid has a molecular weight of 379.46 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine;oxalic acid is sourced from PubChem (CID 3039888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).