3,8-diazabicyclo[3.2.1]oct-6-en-3-amine

C6H11N3 — CID 90464423

IUPAC3,8-diazabicyclo[3.2.1]oct-6-en-3-amine
SMILESNN1CC2C=CC(C1)N2
InChIInChI=1S/C6H11N3/c7-9-3-5-1-2-6(4-9)8-5/h1-2,5-6,8H,3-4,7H2
InChIKeyQZWZJDRHRXWPOR-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.93
Rot. Bonds

About 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine

3,8-diazabicyclo[3.2.1]oct-6-en-3-amine (PubChem CID 90464423) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]oct-6-en-3-amine
PubChem CID90464423
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3,8-diazabicyclo[3.2.1]oct-6-en-3-amine
SMILESNN1CC2C=CC(C1)N2
InChIInChI=1S/C6H11N3/c7-9-3-5-1-2-6(4-9)8-5/h1-2,5-6,8H,3-4,7H2
InChIKeyQZWZJDRHRXWPOR-UHFFFAOYSA-N
XLogP-0.93
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine?
The IUPAC name of 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine (CID 90464423) is 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine is NN1CC2C=CC(C1)N2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine?
The InChIKey is QZWZJDRHRXWPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-9-3-5-1-2-6(4-9)8-5/h1-2,5-6,8H,3-4,7H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine?
3,8-diazabicyclo[3.2.1]oct-6-en-3-amine has a molecular weight of 125.17 g/mol, XLogP of -0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]oct-6-en-3-amine is sourced from PubChem (CID 90464423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).