2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane

C12H23NO — CID 121016344

IUPAC2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCCC1OC(CC)C2CCCC1N2C
InChIInChI=1S/C12H23NO/c1-4-11-9-7-6-8-10(13(9)3)12(5-2)14-11/h9-12H,4-8H2,1-3H3
InChIKeyNKMZIDGEWKTYGF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.43
Rot. Bonds2

About 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane

2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane (PubChem CID 121016344) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane
PubChem CID121016344
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCCC1OC(CC)C2CCCC1N2C
InChIInChI=1S/C12H23NO/c1-4-11-9-7-6-8-10(13(9)3)12(5-2)14-11/h9-12H,4-8H2,1-3H3
InChIKeyNKMZIDGEWKTYGF-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane (CID 121016344) is 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane is CCC1OC(CC)C2CCCC1N2C.
What is the InChIKey of 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is NKMZIDGEWKTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-11-9-7-6-8-10(13(9)3)12(5-2)14-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane?
2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 197.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 121016344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).