3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine

C8H13NO — CID 163342298

IUPAC3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(C3COC3)(C1)C2
InChIInChI=1S/C8H13NO/c9-8-3-7(4-8,5-8)6-1-10-2-6/h6H,1-5,9H2
InChIKeyBKKUQULWIKORDZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.51
Rot. Bonds1

About 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine

3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 163342298) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine
PubChem CID163342298
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(C3COC3)(C1)C2
InChIInChI=1S/C8H13NO/c9-8-3-7(4-8,5-8)6-1-10-2-6/h6H,1-5,9H2
InChIKeyBKKUQULWIKORDZ-UHFFFAOYSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine (CID 163342298) is 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine is NC12CC(C3COC3)(C1)C2.
What is the InChIKey of 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is BKKUQULWIKORDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8-3-7(4-8,5-8)6-1-10-2-6/h6H,1-5,9H2.
What are the key properties of 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine?
3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 163342298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).