5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane

C11H23N3 — CID 10526446

IUPAC5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane
SMILESCN1CCCN2CCCN(CCC1)C2
InChIInChI=1S/C11H23N3/c1-12-5-2-7-13-9-4-10-14(11-13)8-3-6-12/h2-11H2,1H3
InChIKeyORFFPHDVDIVKQQ-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.68
Rot. Bonds

About 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane

5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane (PubChem CID 10526446) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane.

Molecular Properties

Compound Name5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane
PubChem CID10526446
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane
SMILESCN1CCCN2CCCN(CCC1)C2
InChIInChI=1S/C11H23N3/c1-12-5-2-7-13-9-4-10-14(11-13)8-3-6-12/h2-11H2,1H3
InChIKeyORFFPHDVDIVKQQ-UHFFFAOYSA-N
XLogP0.68
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane?
The IUPAC name of 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane (CID 10526446) is 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane.
What is the SMILES notation for 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane?
The canonical SMILES for 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane is CN1CCCN2CCCN(CCC1)C2.
What is the InChIKey of 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane?
The InChIKey is ORFFPHDVDIVKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-12-5-2-7-13-9-4-10-14(11-13)8-3-6-12/h2-11H2,1H3.
What are the key properties of 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane?
5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane has a molecular weight of 197.33 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane is sourced from PubChem (CID 10526446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).