9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane

C20H37N — CID 146535552

IUPAC9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane
SMILESCC1CCCCC2CC(C)(C1)NC1(C)CCCCCCC21
InChIInChI=1S/C20H37N/c1-16-10-7-8-11-17-15-19(2,14-16)21-20(3)13-9-5-4-6-12-18(17)20/h16-18,21H,4-15H2,1-3H3
InChIKeyXYPNBMYECVRVAQ-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.68
Rot. Bonds

About 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane

9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane (PubChem CID 146535552) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane.

Molecular Properties

Compound Name9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane
PubChem CID146535552
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane
SMILESCC1CCCCC2CC(C)(C1)NC1(C)CCCCCCC21
InChIInChI=1S/C20H37N/c1-16-10-7-8-11-17-15-19(2,14-16)21-20(3)13-9-5-4-6-12-18(17)20/h16-18,21H,4-15H2,1-3H3
InChIKeyXYPNBMYECVRVAQ-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane?
The IUPAC name of 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane (CID 146535552) is 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane.
What is the SMILES notation for 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane?
The canonical SMILES for 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane is CC1CCCCC2CC(C)(C1)NC1(C)CCCCCCC21.
What is the InChIKey of 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane?
The InChIKey is XYPNBMYECVRVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-16-10-7-8-11-17-15-19(2,14-16)21-20(3)13-9-5-4-6-12-18(17)20/h16-18,21H,4-15H2,1-3H3.
What are the key properties of 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane?
9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane has a molecular weight of 291.52 g/mol, XLogP of 5.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11,13-trimethyl-10-azatricyclo[9.6.1.02,9]octadecane is sourced from PubChem (CID 146535552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).