1,4-diazonane;ethane

C9H22N2 — CID 176692085

IUPAC1,4-diazonane;ethane
SMILESC1CCNCCNCC1.CC
InChIInChI=1S/C7H16N2.C2H6/c1-2-4-8-6-7-9-5-3-1;1-2/h8-9H,1-7H2;1-2H3
InChIKeyVMXARCJXJNVDII-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.38
Rot. Bonds

About 1,4-diazonane;ethane

1,4-diazonane;ethane (PubChem CID 176692085) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1,4-diazonane;ethane.

Molecular Properties

Compound Name1,4-diazonane;ethane
PubChem CID176692085
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1,4-diazonane;ethane
SMILESC1CCNCCNCC1.CC
InChIInChI=1S/C7H16N2.C2H6/c1-2-4-8-6-7-9-5-3-1;1-2/h8-9H,1-7H2;1-2H3
InChIKeyVMXARCJXJNVDII-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;pyrrolidine;hydrofluoride
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azacycloheptadecane
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piperazine;pyrrolidine
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1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
azepane;piperidine
CID 67415778
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azacyclotriacontane
CID 57238597
1,4-diazonane;bis(trimethylalumane)
CID 176646607
λ2-plumbane;piperidine
CID 174691301

Frequently Asked Questions

What is the IUPAC name of 1,4-diazonane;ethane?
The IUPAC name of 1,4-diazonane;ethane (CID 176692085) is 1,4-diazonane;ethane.
What is the SMILES notation for 1,4-diazonane;ethane?
The canonical SMILES for 1,4-diazonane;ethane is C1CCNCCNCC1.CC.
What is the InChIKey of 1,4-diazonane;ethane?
The InChIKey is VMXARCJXJNVDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-2-4-8-6-7-9-5-3-1;1-2/h8-9H,1-7H2;1-2H3.
What are the key properties of 1,4-diazonane;ethane?
1,4-diazonane;ethane has a molecular weight of 158.29 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazonane;ethane is sourced from PubChem (CID 176692085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).