1,3-diazacyclotridecane

C11H24N2 — CID 67161330

IUPAC1,3-diazacyclotridecane
SMILESC1CCCCCNCNCCCC1
InChIInChI=1S/C11H24N2/c1-2-4-6-8-10-13-11-12-9-7-5-3-1/h12-13H,1-11H2
InChIKeyCMCJOOKSIHPCFE-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.26
Rot. Bonds

About 1,3-diazacyclotridecane

1,3-diazacyclotridecane (PubChem CID 67161330) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1,3-diazacyclotridecane.

Molecular Properties

Compound Name1,3-diazacyclotridecane
PubChem CID67161330
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1,3-diazacyclotridecane
SMILESC1CCCCCNCNCCCC1
InChIInChI=1S/C11H24N2/c1-2-4-6-8-10-13-11-12-9-7-5-3-1/h12-13H,1-11H2
InChIKeyCMCJOOKSIHPCFE-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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azepane;piperidine
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CID 174902715

Frequently Asked Questions

What is the IUPAC name of 1,3-diazacyclotridecane?
The IUPAC name of 1,3-diazacyclotridecane (CID 67161330) is 1,3-diazacyclotridecane.
What is the SMILES notation for 1,3-diazacyclotridecane?
The canonical SMILES for 1,3-diazacyclotridecane is C1CCCCCNCNCCCC1.
What is the InChIKey of 1,3-diazacyclotridecane?
The InChIKey is CMCJOOKSIHPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-2-4-6-8-10-13-11-12-9-7-5-3-1/h12-13H,1-11H2.
What are the key properties of 1,3-diazacyclotridecane?
1,3-diazacyclotridecane has a molecular weight of 184.33 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazacyclotridecane is sourced from PubChem (CID 67161330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).