10-methyl-10-azatricyclo[9.6.2.12,9]icosane

C20H37N — CID 134213267

IUPAC10-methyl-10-azatricyclo[9.6.2.12,9]icosane
SMILESCN1C2CCCCCCC(CC2)C2CCCCCCC1C2
InChIInChI=1S/C20H37N/c1-21-19-12-8-4-2-6-10-17(14-15-19)18-11-7-3-5-9-13-20(21)16-18/h17-20H,2-16H2,1H3
InChIKeyOBGGKBUFEXYLHN-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.78
Rot. Bonds

About 10-methyl-10-azatricyclo[9.6.2.12,9]icosane

10-methyl-10-azatricyclo[9.6.2.12,9]icosane (PubChem CID 134213267) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 10-methyl-10-azatricyclo[9.6.2.12,9]icosane.

Molecular Properties

Compound Name10-methyl-10-azatricyclo[9.6.2.12,9]icosane
PubChem CID134213267
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name10-methyl-10-azatricyclo[9.6.2.12,9]icosane
SMILESCN1C2CCCCCCC(CC2)C2CCCCCCC1C2
InChIInChI=1S/C20H37N/c1-21-19-12-8-4-2-6-10-17(14-15-19)18-11-7-3-5-9-13-20(21)16-18/h17-20H,2-16H2,1H3
InChIKeyOBGGKBUFEXYLHN-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-10-azatricyclo[9.6.2.12,9]icosane?
The IUPAC name of 10-methyl-10-azatricyclo[9.6.2.12,9]icosane (CID 134213267) is 10-methyl-10-azatricyclo[9.6.2.12,9]icosane.
What is the SMILES notation for 10-methyl-10-azatricyclo[9.6.2.12,9]icosane?
The canonical SMILES for 10-methyl-10-azatricyclo[9.6.2.12,9]icosane is CN1C2CCCCCCC(CC2)C2CCCCCCC1C2.
What is the InChIKey of 10-methyl-10-azatricyclo[9.6.2.12,9]icosane?
The InChIKey is OBGGKBUFEXYLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-21-19-12-8-4-2-6-10-17(14-15-19)18-11-7-3-5-9-13-20(21)16-18/h17-20H,2-16H2,1H3.
What are the key properties of 10-methyl-10-azatricyclo[9.6.2.12,9]icosane?
10-methyl-10-azatricyclo[9.6.2.12,9]icosane has a molecular weight of 291.52 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-10-azatricyclo[9.6.2.12,9]icosane is sourced from PubChem (CID 134213267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).