1,6,13-triazacyclononadecane

C16H35N3 — CID 71376561

IUPAC1,6,13-triazacyclononadecane
SMILESC1CCCNCCCCNCCCCCCNCC1
InChIInChI=1S/C16H35N3/c1-3-7-13-18-15-9-10-16-19-14-8-4-2-6-12-17-11-5-1/h17-19H,1-16H2
InChIKeyMSZCGVLDROCZTD-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.67
Rot. Bonds

About 1,6,13-triazacyclononadecane

1,6,13-triazacyclononadecane (PubChem CID 71376561) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1,6,13-triazacyclononadecane.

Molecular Properties

Compound Name1,6,13-triazacyclononadecane
PubChem CID71376561
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1,6,13-triazacyclononadecane
SMILESC1CCCNCCCCNCCCCCCNCC1
InChIInChI=1S/C16H35N3/c1-3-7-13-18-15-9-10-16-19-14-8-4-2-6-12-17-11-5-1/h17-19H,1-16H2
InChIKeyMSZCGVLDROCZTD-UHFFFAOYSA-N
XLogP2.67
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6,13-triazacyclononadecane?
The IUPAC name of 1,6,13-triazacyclononadecane (CID 71376561) is 1,6,13-triazacyclononadecane.
What is the SMILES notation for 1,6,13-triazacyclononadecane?
The canonical SMILES for 1,6,13-triazacyclononadecane is C1CCCNCCCCNCCCCCCNCC1.
What is the InChIKey of 1,6,13-triazacyclononadecane?
The InChIKey is MSZCGVLDROCZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-3-7-13-18-15-9-10-16-19-14-8-4-2-6-12-17-11-5-1/h17-19H,1-16H2.
What are the key properties of 1,6,13-triazacyclononadecane?
1,6,13-triazacyclononadecane has a molecular weight of 269.48 g/mol, XLogP of 2.67, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,13-triazacyclononadecane is sourced from PubChem (CID 71376561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).