(1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane

C8H15NO — CID 89061476

IUPAC(1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1C(C)(C)O2
InChIInChI=1S/C8H15NO/c1-8(2)7-4-6(10-8)5-9(7)3/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyJTDLRWJIUHMQJL-BQBZGAKWSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds

About (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane

(1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 89061476) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID89061476
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1C(C)(C)O2
InChIInChI=1S/C8H15NO/c1-8(2)7-4-6(10-8)5-9(7)3/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyJTDLRWJIUHMQJL-BQBZGAKWSA-N
XLogP0.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21355469
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CID 22967052
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CID 57640204
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CID 57770253
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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 89061476) is (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane is CN1C[C@@H]2C[C@H]1C(C)(C)O2.
What is the InChIKey of (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is JTDLRWJIUHMQJL-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2)7-4-6(10-8)5-9(7)3/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
(1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-3,3,5-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 89061476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).