1,7-diazaspiro[4.4]nonane

C7H14N2 — CID 12939027

IUPAC1,7-diazaspiro[4.4]nonane
SMILESC1CNC2(C1)CCNC2
InChIInChI=1S/C7H14N2/c1-2-7(9-4-1)3-5-8-6-7/h8-9H,1-6H2
InChIKeyITFXDMMGMUVIDF-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.10
Rot. Bonds

About 1,7-diazaspiro[4.4]nonane

1,7-diazaspiro[4.4]nonane (PubChem CID 12939027) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name1,7-diazaspiro[4.4]nonane
PubChem CID12939027
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1,7-diazaspiro[4.4]nonane
SMILESC1CNC2(C1)CCNC2
InChIInChI=1S/C7H14N2/c1-2-7(9-4-1)3-5-8-6-7/h8-9H,1-6H2
InChIKeyITFXDMMGMUVIDF-UHFFFAOYSA-N
XLogP0.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazaspiro[4.4]nonane?
The IUPAC name of 1,7-diazaspiro[4.4]nonane (CID 12939027) is 1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 1,7-diazaspiro[4.4]nonane is C1CNC2(C1)CCNC2.
What is the InChIKey of 1,7-diazaspiro[4.4]nonane?
The InChIKey is ITFXDMMGMUVIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-7(9-4-1)3-5-8-6-7/h8-9H,1-6H2.
What are the key properties of 1,7-diazaspiro[4.4]nonane?
1,7-diazaspiro[4.4]nonane has a molecular weight of 126.20 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 12939027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).