1,7-dimethyl-1,4-diazonane

C9H20N2 — CID 59686503

IUPAC1,7-dimethyl-1,4-diazonane
SMILESCC1CCNCCN(C)CC1
InChIInChI=1S/C9H20N2/c1-9-3-5-10-6-8-11(2)7-4-9/h9-10H,3-8H2,1-2H3
InChIKeyHJEJKMBCHKDTRL-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.94
Rot. Bonds

About 1,7-dimethyl-1,4-diazonane

1,7-dimethyl-1,4-diazonane (PubChem CID 59686503) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1,7-dimethyl-1,4-diazonane.

Molecular Properties

Compound Name1,7-dimethyl-1,4-diazonane
PubChem CID59686503
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1,7-dimethyl-1,4-diazonane
SMILESCC1CCNCCN(C)CC1
InChIInChI=1S/C9H20N2/c1-9-3-5-10-6-8-11(2)7-4-9/h9-10H,3-8H2,1-2H3
InChIKeyHJEJKMBCHKDTRL-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-1,4-diazonane?
The IUPAC name of 1,7-dimethyl-1,4-diazonane (CID 59686503) is 1,7-dimethyl-1,4-diazonane.
What is the SMILES notation for 1,7-dimethyl-1,4-diazonane?
The canonical SMILES for 1,7-dimethyl-1,4-diazonane is CC1CCNCCN(C)CC1.
What is the InChIKey of 1,7-dimethyl-1,4-diazonane?
The InChIKey is HJEJKMBCHKDTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9-3-5-10-6-8-11(2)7-4-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,7-dimethyl-1,4-diazonane?
1,7-dimethyl-1,4-diazonane has a molecular weight of 156.27 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-1,4-diazonane is sourced from PubChem (CID 59686503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).