7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C8H15NO — CID 54594925

IUPAC7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(N)C2CCOC21
InChIInChI=1S/C8H15NO/c1-8(2)6(9)5-3-4-10-7(5)8/h5-7H,3-4,9H2,1-2H3
InChIKeyWVSGHWGXPGVBQE-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds

About 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 54594925) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID54594925
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(N)C2CCOC21
InChIInChI=1S/C8H15NO/c1-8(2)6(9)5-3-4-10-7(5)8/h5-7H,3-4,9H2,1-2H3
InChIKeyWVSGHWGXPGVBQE-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 54594925) is 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(N)C2CCOC21.
What is the InChIKey of 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is WVSGHWGXPGVBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2)6(9)5-3-4-10-7(5)8/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 141.21 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 54594925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).