1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane

C15H27N3 — CID 558090

IUPAC1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane
SMILESC1CNC2C(C1)C1CCCCN1C1CCCCN21
InChIInChI=1S/C15H27N3/c1-3-10-17-13(7-1)12-6-5-9-16-15(12)18-11-4-2-8-14(17)18/h12-16H,1-11H2
InChIKeyBJPDKJGEOOTNHF-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.99
Rot. Bonds

About 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane

1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane (PubChem CID 558090) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane.

Molecular Properties

Compound Name1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane
PubChem CID558090
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane
SMILESC1CNC2C(C1)C1CCCCN1C1CCCCN21
InChIInChI=1S/C15H27N3/c1-3-10-17-13(7-1)12-6-5-9-16-15(12)18-11-4-2-8-14(17)18/h12-16H,1-11H2
InChIKeyBJPDKJGEOOTNHF-UHFFFAOYSA-N
XLogP1.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane 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 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane?
The IUPAC name of 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane (CID 558090) is 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane.
What is the SMILES notation for 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane?
The canonical SMILES for 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane is C1CNC2C(C1)C1CCCCN1C1CCCCN21.
What is the InChIKey of 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane?
The InChIKey is BJPDKJGEOOTNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-10-17-13(7-1)12-6-5-9-16-15(12)18-11-4-2-8-14(17)18/h12-16H,1-11H2.
What are the key properties of 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane?
1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane has a molecular weight of 249.40 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane is sourced from PubChem (CID 558090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).