8-(1-chlorobutyl)-8-azaspiro[4.5]decane

C13H24ClN — CID 70362171

IUPAC8-(1-chlorobutyl)-8-azaspiro[4.5]decane
SMILESCCCC(Cl)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H24ClN/c1-2-5-12(14)15-10-8-13(9-11-15)6-3-4-7-13/h12H,2-11H2,1H3
InChIKeyOKVLVBLCNCTJEY-UHFFFAOYSA-N
MW229.79 g/mol
LogP4.01
Rot. Bonds3

About 8-(1-chlorobutyl)-8-azaspiro[4.5]decane

8-(1-chlorobutyl)-8-azaspiro[4.5]decane (PubChem CID 70362171) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 8-(1-chlorobutyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-chlorobutyl)-8-azaspiro[4.5]decane
PubChem CID70362171
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name8-(1-chlorobutyl)-8-azaspiro[4.5]decane
SMILESCCCC(Cl)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H24ClN/c1-2-5-12(14)15-10-8-13(9-11-15)6-3-4-7-13/h12H,2-11H2,1H3
InChIKeyOKVLVBLCNCTJEY-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1-chlorobutyl)-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-chlorobutyl)-8-azaspiro[4.5]decane (CID 70362171) is 8-(1-chlorobutyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-chlorobutyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-chlorobutyl)-8-azaspiro[4.5]decane is CCCC(Cl)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-(1-chlorobutyl)-8-azaspiro[4.5]decane?
The InChIKey is OKVLVBLCNCTJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c1-2-5-12(14)15-10-8-13(9-11-15)6-3-4-7-13/h12H,2-11H2,1H3.
What are the key properties of 8-(1-chlorobutyl)-8-azaspiro[4.5]decane?
8-(1-chlorobutyl)-8-azaspiro[4.5]decane has a molecular weight of 229.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-chlorobutyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 70362171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).