5-methyl-1-oxa-5-azacycloundecane

C10H21NO — CID 123548674

IUPAC5-methyl-1-oxa-5-azacycloundecane
SMILESCN1CCCCCCOCCC1
InChIInChI=1S/C10H21NO/c1-11-7-4-2-3-5-9-12-10-6-8-11/h2-10H2,1H3
InChIKeyRRSHGFVENGWBOI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds

About 5-methyl-1-oxa-5-azacycloundecane

5-methyl-1-oxa-5-azacycloundecane (PubChem CID 123548674) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-methyl-1-oxa-5-azacycloundecane.

Molecular Properties

Compound Name5-methyl-1-oxa-5-azacycloundecane
PubChem CID123548674
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-methyl-1-oxa-5-azacycloundecane
SMILESCN1CCCCCCOCCC1
InChIInChI=1S/C10H21NO/c1-11-7-4-2-3-5-9-12-10-6-8-11/h2-10H2,1H3
InChIKeyRRSHGFVENGWBOI-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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Related Compounds

6-methyl-1-oxa-6-azacycloundecane
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1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
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7-methyl-1,4,7-dioxazecane
CID 59020799
methane;bis(1-methylazepane);3-methyl-1,3-oxazinane;1-methylpiperidine;1-methylpyrrolidine
CID 161047976
1-ethylpiperidine;1-methylpiperidine;oxane
CID 164954592
10,21-dimethyl-1,3,6,14,17-pentaoxa-10,21-diazacyclotetracosane
CID 18341079
1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
1,3-dioxolane;1-methylpiperidine
CID 90696822
5,11-dimethyl-1-oxa-5,8,11-triazacyclotetradecane
CID 20610192
4-methylmorpholine;4-methyl-1,4-oxazepane;1-methylpyrrolidine;bis(4-methylthiomorpholine)
CID 165009965

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-oxa-5-azacycloundecane?
The IUPAC name of 5-methyl-1-oxa-5-azacycloundecane (CID 123548674) is 5-methyl-1-oxa-5-azacycloundecane.
What is the SMILES notation for 5-methyl-1-oxa-5-azacycloundecane?
The canonical SMILES for 5-methyl-1-oxa-5-azacycloundecane is CN1CCCCCCOCCC1.
What is the InChIKey of 5-methyl-1-oxa-5-azacycloundecane?
The InChIKey is RRSHGFVENGWBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-11-7-4-2-3-5-9-12-10-6-8-11/h2-10H2,1H3.
What are the key properties of 5-methyl-1-oxa-5-azacycloundecane?
5-methyl-1-oxa-5-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 5-methyl-1-oxa-5-azacycloundecane is sourced from PubChem (CID 123548674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).