8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C9H17NO — CID 54595224

IUPAC8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(N)C2CCCOC21
InChIInChI=1S/C9H17NO/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6-8H,3-5,10H2,1-2H3
InChIKeyHAFAIAKOQFPEKK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.15
Rot. Bonds

About 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 54595224) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID54595224
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(N)C2CCCOC21
InChIInChI=1S/C9H17NO/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6-8H,3-5,10H2,1-2H3
InChIKeyHAFAIAKOQFPEKK-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594925
(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95396411
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
CID 119148239
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 79352806
N'-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide;hydroiodide
CID 119148238
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
N-[(1S)-1-cycloheptylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81390910
N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862875
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 79236773
N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862846
8,8-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863813

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 54595224) is 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(N)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is HAFAIAKOQFPEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 155.24 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 54595224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).