6-methyl-1-oxa-6-azacycloundecane

C10H21NO — CID 123668114

IUPAC6-methyl-1-oxa-6-azacycloundecane
SMILESCN1CCCCCOCCCC1
InChIInChI=1S/C10H21NO/c1-11-7-3-2-5-9-12-10-6-4-8-11/h2-10H2,1H3
InChIKeyQPOLMHMZHCYAKJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds

About 6-methyl-1-oxa-6-azacycloundecane

6-methyl-1-oxa-6-azacycloundecane (PubChem CID 123668114) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-methyl-1-oxa-6-azacycloundecane.

Molecular Properties

Compound Name6-methyl-1-oxa-6-azacycloundecane
PubChem CID123668114
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-methyl-1-oxa-6-azacycloundecane
SMILESCN1CCCCCOCCCC1
InChIInChI=1S/C10H21NO/c1-11-7-3-2-5-9-12-10-6-4-8-11/h2-10H2,1H3
InChIKeyQPOLMHMZHCYAKJ-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-oxa-6-azacycloundecane?
The IUPAC name of 6-methyl-1-oxa-6-azacycloundecane (CID 123668114) is 6-methyl-1-oxa-6-azacycloundecane.
What is the SMILES notation for 6-methyl-1-oxa-6-azacycloundecane?
The canonical SMILES for 6-methyl-1-oxa-6-azacycloundecane is CN1CCCCCOCCCC1.
What is the InChIKey of 6-methyl-1-oxa-6-azacycloundecane?
The InChIKey is QPOLMHMZHCYAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-11-7-3-2-5-9-12-10-6-4-8-11/h2-10H2,1H3.
What are the key properties of 6-methyl-1-oxa-6-azacycloundecane?
6-methyl-1-oxa-6-azacycloundecane has a molecular weight of 171.28 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-oxa-6-azacycloundecane is sourced from PubChem (CID 123668114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).