4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine

C15H24N2O2 — CID 174944396

IUPAC4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine
SMILESCCCCCCN.O=C1NC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C9H9NO2.C6H15N/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8;1-2-3-4-5-6-7/h1-2,4-7H,3H2,(H,10,11,12);2-7H2,1H3
InChIKeyZUNONPMWXWPJNO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.61
Rot. Bonds4

About 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine

4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine (PubChem CID 174944396) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine.

Molecular Properties

Compound Name4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine
PubChem CID174944396
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine
SMILESCCCCCCN.O=C1NC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C9H9NO2.C6H15N/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8;1-2-3-4-5-6-7/h1-2,4-7H,3H2,(H,10,11,12);2-7H2,1H3
InChIKeyZUNONPMWXWPJNO-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine with MolForge

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Related Compounds

4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;butane-1-sulfonic acid
CID 175177023
pentan-1-amine;pyrrolidine-2,5-dione
CID 122669383
4,7-didodecyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 141093259
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
(1R,2S,6R,7S)-4-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 10632668
4-decyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 141093247
butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 90943066
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
CID 147838598

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine?
The IUPAC name of 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine (CID 174944396) is 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine.
What is the SMILES notation for 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine?
The canonical SMILES for 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine is CCCCCCN.O=C1NC(=O)C2C3C=CC(C3)C12.
What is the InChIKey of 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine?
The InChIKey is ZUNONPMWXWPJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C6H15N/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8;1-2-3-4-5-6-7/h1-2,4-7H,3H2,(H,10,11,12);2-7H2,1H3.
What are the key properties of 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine?
4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hexan-1-amine is sourced from PubChem (CID 174944396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).