5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C10H19NO — CID 90758578

IUPAC5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCC(C)CN1CC2CC1CO2
InChIInChI=1S/C10H19NO/c1-3-8(2)5-11-6-10-4-9(11)7-12-10/h8-10H,3-7H2,1-2H3
InChIKeyTUHALSLWSHPJMM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds3

About 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 90758578) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID90758578
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCC(C)CN1CC2CC1CO2
InChIInChI=1S/C10H19NO/c1-3-8(2)5-11-6-10-4-9(11)7-12-10/h8-10H,3-7H2,1-2H3
InChIKeyTUHALSLWSHPJMM-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 90758578) is 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane is CCC(C)CN1CC2CC1CO2.
What is the InChIKey of 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is TUHALSLWSHPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-8(2)5-11-6-10-4-9(11)7-12-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 169.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 90758578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).