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

C18H29NO — CID 77440536

IUPAC13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESC1CCC2C(C1)OC1CCCC3C4CCCCC4N2C13
InChIInChI=1S/C18H29NO/c1-2-8-14-12(6-1)13-7-5-11-17-18(13)19(14)15-9-3-4-10-16(15)20-17/h12-18H,1-11H2
InChIKeyARYDYHHYPALKSC-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.74
Rot. Bonds

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

13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane (PubChem CID 77440536) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane.

Molecular Properties

Compound Name13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
PubChem CID77440536
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESC1CCC2C(C1)OC1CCCC3C4CCCCC4N2C13
InChIInChI=1S/C18H29NO/c1-2-8-14-12(6-1)13-7-5-11-17-18(13)19(14)15-9-3-4-10-16(15)20-17/h12-18H,1-11H2
InChIKeyARYDYHHYPALKSC-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The IUPAC name of 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane (CID 77440536) is 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane.
What is the SMILES notation for 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The canonical SMILES for 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane is C1CCC2C(C1)OC1CCCC3C4CCCCC4N2C13.
What is the InChIKey of 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The InChIKey is ARYDYHHYPALKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-8-14-12(6-1)13-7-5-11-17-18(13)19(14)15-9-3-4-10-16(15)20-17/h12-18H,1-11H2.
What are the key properties of 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane has a molecular weight of 275.44 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane is sourced from PubChem (CID 77440536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).