2,3-dimethyl-1,4-diazonane

C9H20N2 — CID 135158483

IUPAC2,3-dimethyl-1,4-diazonane
SMILESCC1NCCCCCNC1C
InChIInChI=1S/C9H20N2/c1-8-9(2)11-7-5-3-4-6-10-8/h8-11H,3-7H2,1-2H3
InChIKeyNKXPGXFVRVWMRG-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.13
Rot. Bonds

About 2,3-dimethyl-1,4-diazonane

2,3-dimethyl-1,4-diazonane (PubChem CID 135158483) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-diazonane.

Molecular Properties

Compound Name2,3-dimethyl-1,4-diazonane
PubChem CID135158483
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2,3-dimethyl-1,4-diazonane
SMILESCC1NCCCCCNC1C
InChIInChI=1S/C9H20N2/c1-8-9(2)11-7-5-3-4-6-10-8/h8-11H,3-7H2,1-2H3
InChIKeyNKXPGXFVRVWMRG-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-diazonane?
The IUPAC name of 2,3-dimethyl-1,4-diazonane (CID 135158483) is 2,3-dimethyl-1,4-diazonane.
What is the SMILES notation for 2,3-dimethyl-1,4-diazonane?
The canonical SMILES for 2,3-dimethyl-1,4-diazonane is CC1NCCCCCNC1C.
What is the InChIKey of 2,3-dimethyl-1,4-diazonane?
The InChIKey is NKXPGXFVRVWMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8-9(2)11-7-5-3-4-6-10-8/h8-11H,3-7H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,4-diazonane?
2,3-dimethyl-1,4-diazonane has a molecular weight of 156.27 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-diazonane is sourced from PubChem (CID 135158483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).