12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane

C20H33N — CID 147420295

IUPAC12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane
SMILESC1CCC2C(C1)CCC1NC3CCC4CCCCC4C3C12
InChIInChI=1S/C20H33N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h13-21H,1-12H2
InChIKeyDSIQXDOFLVTKBH-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.76
Rot. Bonds

About 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane

12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane (PubChem CID 147420295) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane.

Molecular Properties

Compound Name12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane
PubChem CID147420295
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane
SMILESC1CCC2C(C1)CCC1NC3CCC4CCCCC4C3C12
InChIInChI=1S/C20H33N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h13-21H,1-12H2
InChIKeyDSIQXDOFLVTKBH-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane?
The IUPAC name of 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane (CID 147420295) is 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane.
What is the SMILES notation for 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane?
The canonical SMILES for 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane is C1CCC2C(C1)CCC1NC3CCC4CCCCC4C3C12.
What is the InChIKey of 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane?
The InChIKey is DSIQXDOFLVTKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h13-21H,1-12H2.
What are the key properties of 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane?
12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane has a molecular weight of 287.49 g/mol, XLogP of 4.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane is sourced from PubChem (CID 147420295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).