(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C8H15NO — CID 95396411

IUPAC(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)[C@@H](N)[C@H]2CCO[C@@H]21
InChIInChI=1S/C8H15NO/c1-8(2)6(9)5-3-4-10-7(5)8/h5-7H,3-4,9H2,1-2H3/t5-,6+,7+/m1/s1
InChIKeyWVSGHWGXPGVBQE-VQVTYTSYSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds

About (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 95396411) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID95396411
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)[C@@H](N)[C@H]2CCO[C@@H]21
InChIInChI=1S/C8H15NO/c1-8(2)6(9)5-3-4-10-7(5)8/h5-7H,3-4,9H2,1-2H3/t5-,6+,7+/m1/s1
InChIKeyWVSGHWGXPGVBQE-VQVTYTSYSA-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 (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 95396411) is (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)[C@@H](N)[C@H]2CCO[C@@H]21.
What is the InChIKey of (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is WVSGHWGXPGVBQE-VQVTYTSYSA-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/t5-,6+,7+/m1/s1.
What are the key properties of (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
(1S,5R,6S)-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 (1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 95396411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).