2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride

C9H18Cl2N2 — CID 167729280

IUPAC2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride
SMILESC1CC(N2CC3(CNC3)C2)C1.Cl.Cl
InChIInChI=1S/C9H16N2.2ClH/c1-2-8(3-1)11-6-9(7-11)4-10-5-9;;/h8,10H,1-7H2;2*1H
InChIKeyDQLGXZBQHYVNND-UHFFFAOYSA-N
MW225.16 g/mol
LogP1.29
Rot. Bonds1

About 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride

2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride (PubChem CID 167729280) has the molecular formula C9H18Cl2N2 and a molecular weight of 225.16 g/mol. Its IUPAC name is 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride
PubChem CID167729280
Molecular FormulaC9H18Cl2N2
Molecular Weight225.16 g/mol
Exact Mass224.08
IUPAC Name2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride
SMILESC1CC(N2CC3(CNC3)C2)C1.Cl.Cl
InChIInChI=1S/C9H16N2.2ClH/c1-2-8(3-1)11-6-9(7-11)4-10-5-9;;/h8,10H,1-7H2;2*1H
InChIKeyDQLGXZBQHYVNND-UHFFFAOYSA-N
XLogP1.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride?
The IUPAC name of 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride (CID 167729280) is 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride.
What is the SMILES notation for 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride?
The canonical SMILES for 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride is C1CC(N2CC3(CNC3)C2)C1.Cl.Cl.
What is the InChIKey of 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride?
The InChIKey is DQLGXZBQHYVNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2ClH/c1-2-8(3-1)11-6-9(7-11)4-10-5-9;;/h8,10H,1-7H2;2*1H.
What are the key properties of 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride?
2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride has a molecular weight of 225.16 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride is sourced from PubChem (CID 167729280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).