1-ethyl-1,4-diazonane

C9H20N2 — CID 143247288

IUPAC1-ethyl-1,4-diazonane
SMILESCCN1CCCCCNCC1
InChIInChI=1S/C9H20N2/c1-2-11-8-5-3-4-6-10-7-9-11/h10H,2-9H2,1H3
InChIKeyHWWJNJRSYJBXDS-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds1

About 1-ethyl-1,4-diazonane

1-ethyl-1,4-diazonane (PubChem CID 143247288) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-ethyl-1,4-diazonane.

Molecular Properties

Compound Name1-ethyl-1,4-diazonane
PubChem CID143247288
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-ethyl-1,4-diazonane
SMILESCCN1CCCCCNCC1
InChIInChI=1S/C9H20N2/c1-2-11-8-5-3-4-6-10-7-9-11/h10H,2-9H2,1H3
InChIKeyHWWJNJRSYJBXDS-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,4-diazonane?
The IUPAC name of 1-ethyl-1,4-diazonane (CID 143247288) is 1-ethyl-1,4-diazonane.
What is the SMILES notation for 1-ethyl-1,4-diazonane?
The canonical SMILES for 1-ethyl-1,4-diazonane is CCN1CCCCCNCC1.
What is the InChIKey of 1-ethyl-1,4-diazonane?
The InChIKey is HWWJNJRSYJBXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-11-8-5-3-4-6-10-7-9-11/h10H,2-9H2,1H3.
What are the key properties of 1-ethyl-1,4-diazonane?
1-ethyl-1,4-diazonane has a molecular weight of 156.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,4-diazonane is sourced from PubChem (CID 143247288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).