(1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane

C20H37NO — CID 170097259

IUPAC(1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane
SMILESCN1C2CCCCCC(CC2)O[C@H]2CCCCCCC1CC2
InChIInChI=1S/C20H37NO/c1-21-17-9-5-2-3-7-11-19(15-13-17)22-20-12-8-4-6-10-18(21)14-16-20/h17-20H,2-16H2,1H3/t17?,18?,19-,20?/m0/s1
InChIKeyFMHXIPIICDYHMP-LWCMGDNJSA-N
MW307.52 g/mol
LogP5.30
Rot. Bonds

About (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane

(1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane (PubChem CID 170097259) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane.

Molecular Properties

Compound Name(1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane
PubChem CID170097259
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane
SMILESCN1C2CCCCCC(CC2)O[C@H]2CCCCCCC1CC2
InChIInChI=1S/C20H37NO/c1-21-17-9-5-2-3-7-11-19(15-13-17)22-20-12-8-4-6-10-18(21)14-16-20/h17-20H,2-16H2,1H3/t17?,18?,19-,20?/m0/s1
InChIKeyFMHXIPIICDYHMP-LWCMGDNJSA-N
XLogP5.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane?
The IUPAC name of (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane (CID 170097259) is (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane.
What is the SMILES notation for (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane?
The canonical SMILES for (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane is CN1C2CCCCCC(CC2)O[C@H]2CCCCCCC1CC2.
What is the InChIKey of (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane?
The InChIKey is FMHXIPIICDYHMP-LWCMGDNJSA-N. The full InChI is InChI=1S/C20H37NO/c1-21-17-9-5-2-3-7-11-19(15-13-17)22-20-12-8-4-6-10-18(21)14-16-20/h17-20H,2-16H2,1H3/t17?,18?,19-,20?/m0/s1.
What are the key properties of (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane?
(1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane has a molecular weight of 307.52 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane is sourced from PubChem (CID 170097259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).