4,7-dimethyl-1,4,7,10-tetrazacyclotridecane

C11H26N4 — CID 152746949

IUPAC4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
SMILESCN1CCNCCCNCCN(C)CC1
InChIInChI=1S/C11H26N4/c1-14-8-6-12-4-3-5-13-7-9-15(2)11-10-14/h12-13H,3-11H2,1-2H3
InChIKeyJDFWOJSCUZQPGH-UHFFFAOYSA-N
MW214.36 g/mol
LogP-0.57
Rot. Bonds

About 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane

4,7-dimethyl-1,4,7,10-tetrazacyclotridecane (PubChem CID 152746949) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane.

Molecular Properties

Compound Name4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
PubChem CID152746949
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
SMILESCN1CCNCCCNCCN(C)CC1
InChIInChI=1S/C11H26N4/c1-14-8-6-12-4-3-5-13-7-9-15(2)11-10-14/h12-13H,3-11H2,1-2H3
InChIKeyJDFWOJSCUZQPGH-UHFFFAOYSA-N
XLogP-0.57
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methylpiperazine;bis(piperidine);pyrrolidine
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1-methylpiperazine;piperazine;piperidine;pyrrolidine
CID 158850243
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;dihydrochloride
CID 2734715
1-methylpiperazine;hydrate
CID 23128681
1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
CID 160957043
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CID 123280803

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane?
The IUPAC name of 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane (CID 152746949) is 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane.
What is the SMILES notation for 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane?
The canonical SMILES for 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane is CN1CCNCCCNCCN(C)CC1.
What is the InChIKey of 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane?
The InChIKey is JDFWOJSCUZQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-14-8-6-12-4-3-5-13-7-9-15(2)11-10-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane?
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane has a molecular weight of 214.36 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,4,7,10-tetrazacyclotridecane is sourced from PubChem (CID 152746949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).