1,3,3,5,7,7-hexamethyl-1,5-diazonane

C13H28N2 — CID 167025577

IUPAC1,3,3,5,7,7-hexamethyl-1,5-diazonane
SMILESCN1CCC(C)(C)CN(C)CC(C)(C)C1
InChIInChI=1S/C13H28N2/c1-12(2)7-8-14(5)10-13(3,4)11-15(6)9-12/h7-11H2,1-6H3
InChIKeyXSHZLRBKMUODMU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.31
Rot. Bonds

About 1,3,3,5,7,7-hexamethyl-1,5-diazonane

1,3,3,5,7,7-hexamethyl-1,5-diazonane (PubChem CID 167025577) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1,3,3,5,7,7-hexamethyl-1,5-diazonane.

Molecular Properties

Compound Name1,3,3,5,7,7-hexamethyl-1,5-diazonane
PubChem CID167025577
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1,3,3,5,7,7-hexamethyl-1,5-diazonane
SMILESCN1CCC(C)(C)CN(C)CC(C)(C)C1
InChIInChI=1S/C13H28N2/c1-12(2)7-8-14(5)10-13(3,4)11-15(6)9-12/h7-11H2,1-6H3
InChIKeyXSHZLRBKMUODMU-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,5,7,7-hexamethyl-1,5-diazonane?
The IUPAC name of 1,3,3,5,7,7-hexamethyl-1,5-diazonane (CID 167025577) is 1,3,3,5,7,7-hexamethyl-1,5-diazonane.
What is the SMILES notation for 1,3,3,5,7,7-hexamethyl-1,5-diazonane?
The canonical SMILES for 1,3,3,5,7,7-hexamethyl-1,5-diazonane is CN1CCC(C)(C)CN(C)CC(C)(C)C1.
What is the InChIKey of 1,3,3,5,7,7-hexamethyl-1,5-diazonane?
The InChIKey is XSHZLRBKMUODMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2)7-8-14(5)10-13(3,4)11-15(6)9-12/h7-11H2,1-6H3.
What are the key properties of 1,3,3,5,7,7-hexamethyl-1,5-diazonane?
1,3,3,5,7,7-hexamethyl-1,5-diazonane has a molecular weight of 212.38 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5,7,7-hexamethyl-1,5-diazonane is sourced from PubChem (CID 167025577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).