11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine

C12H21NO — CID 143716470

IUPAC11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
SMILESCC1CCCCCCC2=C1OCCN2
InChIInChI=1S/C12H21NO/c1-10-6-4-2-3-5-7-11-12(10)14-9-8-13-11/h10,13H,2-9H2,1H3
InChIKeyAGEGBBHVIRABPZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.81
Rot. Bonds

About 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine

11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine (PubChem CID 143716470) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine.

Molecular Properties

Compound Name11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
PubChem CID143716470
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
SMILESCC1CCCCCCC2=C1OCCN2
InChIInChI=1S/C12H21NO/c1-10-6-4-2-3-5-7-11-12(10)14-9-8-13-11/h10,13H,2-9H2,1H3
InChIKeyAGEGBBHVIRABPZ-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine?
The IUPAC name of 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine (CID 143716470) is 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine.
What is the SMILES notation for 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine?
The canonical SMILES for 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine is CC1CCCCCCC2=C1OCCN2.
What is the InChIKey of 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine?
The InChIKey is AGEGBBHVIRABPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-6-4-2-3-5-7-11-12(10)14-9-8-13-11/h10,13H,2-9H2,1H3.
What are the key properties of 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine?
11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine has a molecular weight of 195.31 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine is sourced from PubChem (CID 143716470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).