10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane

C19H35NO — CID 134213203

IUPAC10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane
SMILESCN1C2CCCCCCC(CC2)OC2CCCCCC1C2
InChIInChI=1S/C19H35NO/c1-20-16-9-5-2-3-7-11-18(14-13-16)21-19-12-8-4-6-10-17(20)15-19/h16-19H,2-15H2,1H3
InChIKeyJCCNHASFZMAVDJ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.91
Rot. Bonds

About 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane

10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane (PubChem CID 134213203) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane.

Molecular Properties

Compound Name10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane
PubChem CID134213203
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane
SMILESCN1C2CCCCCCC(CC2)OC2CCCCCC1C2
InChIInChI=1S/C19H35NO/c1-20-16-9-5-2-3-7-11-18(14-13-16)21-19-12-8-4-6-10-17(20)15-19/h16-19H,2-15H2,1H3
InChIKeyJCCNHASFZMAVDJ-UHFFFAOYSA-N
XLogP4.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane?
The IUPAC name of 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane (CID 134213203) is 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane.
What is the SMILES notation for 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane?
The canonical SMILES for 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane is CN1C2CCCCCCC(CC2)OC2CCCCCC1C2.
What is the InChIKey of 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane?
The InChIKey is JCCNHASFZMAVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-20-16-9-5-2-3-7-11-18(14-13-16)21-19-12-8-4-6-10-17(20)15-19/h16-19H,2-15H2,1H3.
What are the key properties of 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane?
10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane has a molecular weight of 293.50 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane is sourced from PubChem (CID 134213203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).