1-oxaspiro[4.4]nonane-2,8-diamine

C8H16N2O — CID 170328430

IUPAC1-oxaspiro[4.4]nonane-2,8-diamine
SMILESNC1CCC2(CCC(N)O2)C1
InChIInChI=1S/C8H16N2O/c9-6-1-3-8(5-6)4-2-7(10)11-8/h6-7H,1-5,9-10H2
InChIKeyYTUYFYUVDGLUSK-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.33
Rot. Bonds

About 1-oxaspiro[4.4]nonane-2,8-diamine

1-oxaspiro[4.4]nonane-2,8-diamine (PubChem CID 170328430) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-oxaspiro[4.4]nonane-2,8-diamine.

Molecular Properties

Compound Name1-oxaspiro[4.4]nonane-2,8-diamine
PubChem CID170328430
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-oxaspiro[4.4]nonane-2,8-diamine
SMILESNC1CCC2(CCC(N)O2)C1
InChIInChI=1S/C8H16N2O/c9-6-1-3-8(5-6)4-2-7(10)11-8/h6-7H,1-5,9-10H2
InChIKeyYTUYFYUVDGLUSK-UHFFFAOYSA-N
XLogP0.33
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]nonane-2,8-diamine?
The IUPAC name of 1-oxaspiro[4.4]nonane-2,8-diamine (CID 170328430) is 1-oxaspiro[4.4]nonane-2,8-diamine.
What is the SMILES notation for 1-oxaspiro[4.4]nonane-2,8-diamine?
The canonical SMILES for 1-oxaspiro[4.4]nonane-2,8-diamine is NC1CCC2(CCC(N)O2)C1.
What is the InChIKey of 1-oxaspiro[4.4]nonane-2,8-diamine?
The InChIKey is YTUYFYUVDGLUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-6-1-3-8(5-6)4-2-7(10)11-8/h6-7H,1-5,9-10H2.
What are the key properties of 1-oxaspiro[4.4]nonane-2,8-diamine?
1-oxaspiro[4.4]nonane-2,8-diamine has a molecular weight of 156.23 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]nonane-2,8-diamine is sourced from PubChem (CID 170328430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).