5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane

C19H31NO — CID 123195808

IUPAC5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1CCC2C(C1)C1CCCC3OC4CCCCC4N2C31
InChIInChI=1S/C19H31NO/c1-12-9-10-15-14(11-12)13-5-4-8-18-19(13)20(15)16-6-2-3-7-17(16)21-18/h12-19H,2-11H2,1H3
InChIKeyRYGNJJDCTVVCBV-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.99
Rot. Bonds

About 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane

5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane (PubChem CID 123195808) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane.

Molecular Properties

Compound Name5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
PubChem CID123195808
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1CCC2C(C1)C1CCCC3OC4CCCCC4N2C31
InChIInChI=1S/C19H31NO/c1-12-9-10-15-14(11-12)13-5-4-8-18-19(13)20(15)16-6-2-3-7-17(16)21-18/h12-19H,2-11H2,1H3
InChIKeyRYGNJJDCTVVCBV-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane 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 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The IUPAC name of 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane (CID 123195808) is 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane.
What is the SMILES notation for 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The canonical SMILES for 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane is CC1CCC2C(C1)C1CCCC3OC4CCCCC4N2C31.
What is the InChIKey of 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The InChIKey is RYGNJJDCTVVCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-12-9-10-15-14(11-12)13-5-4-8-18-19(13)20(15)16-6-2-3-7-17(16)21-18/h12-19H,2-11H2,1H3.
What are the key properties of 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane has a molecular weight of 289.46 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane is sourced from PubChem (CID 123195808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).