3-azabicyclo[3.2.1]octan-3-amine

C7H14N2 — CID 89097210

IUPAC3-azabicyclo[3.2.1]octan-3-amine
SMILESNN1CC2CCC(C2)C1
InChIInChI=1S/C7H14N2/c8-9-4-6-1-2-7(3-6)5-9/h6-7H,1-5,8H2
InChIKeyBZWIERAEDHKQEK-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.59
Rot. Bonds

About 3-azabicyclo[3.2.1]octan-3-amine

3-azabicyclo[3.2.1]octan-3-amine (PubChem CID 89097210) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name3-azabicyclo[3.2.1]octan-3-amine
PubChem CID89097210
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-azabicyclo[3.2.1]octan-3-amine
SMILESNN1CC2CCC(C2)C1
InChIInChI=1S/C7H14N2/c8-9-4-6-1-2-7(3-6)5-9/h6-7H,1-5,8H2
InChIKeyBZWIERAEDHKQEK-UHFFFAOYSA-N
XLogP0.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 3-azabicyclo[3.2.1]octan-3-amine (CID 89097210) is 3-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 3-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 3-azabicyclo[3.2.1]octan-3-amine is NN1CC2CCC(C2)C1.
What is the InChIKey of 3-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BZWIERAEDHKQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-9-4-6-1-2-7(3-6)5-9/h6-7H,1-5,8H2.
What are the key properties of 3-azabicyclo[3.2.1]octan-3-amine?
3-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 126.20 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 89097210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).