5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane

C14H27NO — CID 91349138

IUPAC5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane
SMILESCCN1CCC(C)(C)C2OC2C(C)(C)CC1
InChIInChI=1S/C14H27NO/c1-6-15-9-7-13(2,3)11-12(16-11)14(4,5)8-10-15/h11-12H,6-10H2,1-5H3
InChIKeyLGDKCKURYSOZGT-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.92
Rot. Bonds1

About 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane

5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane (PubChem CID 91349138) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane.

Molecular Properties

Compound Name5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane
PubChem CID91349138
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane
SMILESCCN1CCC(C)(C)C2OC2C(C)(C)CC1
InChIInChI=1S/C14H27NO/c1-6-15-9-7-13(2,3)11-12(16-11)14(4,5)8-10-15/h11-12H,6-10H2,1-5H3
InChIKeyLGDKCKURYSOZGT-UHFFFAOYSA-N
XLogP2.92
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 154672699
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane?
The IUPAC name of 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane (CID 91349138) is 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane.
What is the SMILES notation for 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane?
The canonical SMILES for 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane is CCN1CCC(C)(C)C2OC2C(C)(C)CC1.
What is the InChIKey of 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane?
The InChIKey is LGDKCKURYSOZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-15-9-7-13(2,3)11-12(16-11)14(4,5)8-10-15/h11-12H,6-10H2,1-5H3.
What are the key properties of 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane?
5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane has a molecular weight of 225.38 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane is sourced from PubChem (CID 91349138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).