1,5,8,11-tetramethyl-1,5-diazacyclotridecane

C15H32N2 — CID 10610105

IUPAC1,5,8,11-tetramethyl-1,5-diazacyclotridecane
SMILESCC1CCC(C)CCN(C)CCCN(C)CC1
InChIInChI=1S/C15H32N2/c1-14-6-7-15(2)9-13-17(4)11-5-10-16(3)12-8-14/h14-15H,5-13H2,1-4H3
InChIKeyHXMHFLBFCCNNGT-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.09
Rot. Bonds

About 1,5,8,11-tetramethyl-1,5-diazacyclotridecane

1,5,8,11-tetramethyl-1,5-diazacyclotridecane (PubChem CID 10610105) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1,5,8,11-tetramethyl-1,5-diazacyclotridecane.

Molecular Properties

Compound Name1,5,8,11-tetramethyl-1,5-diazacyclotridecane
PubChem CID10610105
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1,5,8,11-tetramethyl-1,5-diazacyclotridecane
SMILESCC1CCC(C)CCN(C)CCCN(C)CC1
InChIInChI=1S/C15H32N2/c1-14-6-7-15(2)9-13-17(4)11-5-10-16(3)12-8-14/h14-15H,5-13H2,1-4H3
InChIKeyHXMHFLBFCCNNGT-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,8,11-tetramethyl-1,5-diazacyclotridecane?
The IUPAC name of 1,5,8,11-tetramethyl-1,5-diazacyclotridecane (CID 10610105) is 1,5,8,11-tetramethyl-1,5-diazacyclotridecane.
What is the SMILES notation for 1,5,8,11-tetramethyl-1,5-diazacyclotridecane?
The canonical SMILES for 1,5,8,11-tetramethyl-1,5-diazacyclotridecane is CC1CCC(C)CCN(C)CCCN(C)CC1.
What is the InChIKey of 1,5,8,11-tetramethyl-1,5-diazacyclotridecane?
The InChIKey is HXMHFLBFCCNNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14-6-7-15(2)9-13-17(4)11-5-10-16(3)12-8-14/h14-15H,5-13H2,1-4H3.
What are the key properties of 1,5,8,11-tetramethyl-1,5-diazacyclotridecane?
1,5,8,11-tetramethyl-1,5-diazacyclotridecane has a molecular weight of 240.43 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8,11-tetramethyl-1,5-diazacyclotridecane is sourced from PubChem (CID 10610105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).