2-oxabicyclo[3.1.1]heptan-4-amine

C6H11NO — CID 146082021

IUPAC2-oxabicyclo[3.1.1]heptan-4-amine
SMILESNC1COC2CC1C2
InChIInChI=1S/C6H11NO/c7-6-3-8-5-1-4(6)2-5/h4-6H,1-3,7H2
InChIKeyZFDMYXRXSBKBLF-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.12
Rot. Bonds

About 2-oxabicyclo[3.1.1]heptan-4-amine

2-oxabicyclo[3.1.1]heptan-4-amine (PubChem CID 146082021) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-oxabicyclo[3.1.1]heptan-4-amine.

Molecular Properties

Compound Name2-oxabicyclo[3.1.1]heptan-4-amine
PubChem CID146082021
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-oxabicyclo[3.1.1]heptan-4-amine
SMILESNC1COC2CC1C2
InChIInChI=1S/C6H11NO/c7-6-3-8-5-1-4(6)2-5/h4-6H,1-3,7H2
InChIKeyZFDMYXRXSBKBLF-UHFFFAOYSA-N
XLogP0.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-oxabicyclo[3.1.1]heptan-4-amine 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 2-oxabicyclo[3.1.1]heptan-4-amine?
The IUPAC name of 2-oxabicyclo[3.1.1]heptan-4-amine (CID 146082021) is 2-oxabicyclo[3.1.1]heptan-4-amine.
What is the SMILES notation for 2-oxabicyclo[3.1.1]heptan-4-amine?
The canonical SMILES for 2-oxabicyclo[3.1.1]heptan-4-amine is NC1COC2CC1C2.
What is the InChIKey of 2-oxabicyclo[3.1.1]heptan-4-amine?
The InChIKey is ZFDMYXRXSBKBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c7-6-3-8-5-1-4(6)2-5/h4-6H,1-3,7H2.
What are the key properties of 2-oxabicyclo[3.1.1]heptan-4-amine?
2-oxabicyclo[3.1.1]heptan-4-amine has a molecular weight of 113.16 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[3.1.1]heptan-4-amine is sourced from PubChem (CID 146082021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).