2,5-dimethyl-1,4,7-triazonane

C8H19N3 — CID 66663266

IUPAC2,5-dimethyl-1,4,7-triazonane
SMILESCC1CNCCNC(C)CN1
InChIInChI=1S/C8H19N3/c1-7-5-9-3-4-10-8(2)6-11-7/h7-11H,3-6H2,1-2H3
InChIKeyIJZIRIYTYKTPNT-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.45
Rot. Bonds

About 2,5-dimethyl-1,4,7-triazonane

2,5-dimethyl-1,4,7-triazonane (PubChem CID 66663266) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,5-dimethyl-1,4,7-triazonane.

Molecular Properties

Compound Name2,5-dimethyl-1,4,7-triazonane
PubChem CID66663266
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name2,5-dimethyl-1,4,7-triazonane
SMILESCC1CNCCNC(C)CN1
InChIInChI=1S/C8H19N3/c1-7-5-9-3-4-10-8(2)6-11-7/h7-11H,3-6H2,1-2H3
InChIKeyIJZIRIYTYKTPNT-UHFFFAOYSA-N
XLogP-0.45
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,4,7-triazonane?
The IUPAC name of 2,5-dimethyl-1,4,7-triazonane (CID 66663266) is 2,5-dimethyl-1,4,7-triazonane.
What is the SMILES notation for 2,5-dimethyl-1,4,7-triazonane?
The canonical SMILES for 2,5-dimethyl-1,4,7-triazonane is CC1CNCCNC(C)CN1.
What is the InChIKey of 2,5-dimethyl-1,4,7-triazonane?
The InChIKey is IJZIRIYTYKTPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-7-5-9-3-4-10-8(2)6-11-7/h7-11H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,4,7-triazonane?
2,5-dimethyl-1,4,7-triazonane has a molecular weight of 157.26 g/mol, XLogP of -0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,4,7-triazonane is sourced from PubChem (CID 66663266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).