8-(6-chlorohexyl)-8-azaspiro[4.5]decane

C15H28ClN — CID 63447004

IUPAC8-(6-chlorohexyl)-8-azaspiro[4.5]decane
SMILESClCCCCCCN1CCC2(CCCC2)CC1
InChIInChI=1S/C15H28ClN/c16-11-5-1-2-6-12-17-13-9-15(10-14-17)7-3-4-8-15/h1-14H2
InChIKeyXOSXIBLNCIHKDJ-UHFFFAOYSA-N
MW257.85 g/mol
LogP4.44
Rot. Bonds6

About 8-(6-chlorohexyl)-8-azaspiro[4.5]decane

8-(6-chlorohexyl)-8-azaspiro[4.5]decane (PubChem CID 63447004) has the molecular formula C15H28ClN and a molecular weight of 257.85 g/mol. Its IUPAC name is 8-(6-chlorohexyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(6-chlorohexyl)-8-azaspiro[4.5]decane
PubChem CID63447004
Molecular FormulaC15H28ClN
Molecular Weight257.85 g/mol
Exact Mass257.19
IUPAC Name8-(6-chlorohexyl)-8-azaspiro[4.5]decane
SMILESClCCCCCCN1CCC2(CCCC2)CC1
InChIInChI=1S/C15H28ClN/c16-11-5-1-2-6-12-17-13-9-15(10-14-17)7-3-4-8-15/h1-14H2
InChIKeyXOSXIBLNCIHKDJ-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.85
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chlorohexyl)-8-azaspiro[4.5]decane?
The IUPAC name of 8-(6-chlorohexyl)-8-azaspiro[4.5]decane (CID 63447004) is 8-(6-chlorohexyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(6-chlorohexyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(6-chlorohexyl)-8-azaspiro[4.5]decane is ClCCCCCCN1CCC2(CCCC2)CC1.
What is the InChIKey of 8-(6-chlorohexyl)-8-azaspiro[4.5]decane?
The InChIKey is XOSXIBLNCIHKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN/c16-11-5-1-2-6-12-17-13-9-15(10-14-17)7-3-4-8-15/h1-14H2.
What are the key properties of 8-(6-chlorohexyl)-8-azaspiro[4.5]decane?
8-(6-chlorohexyl)-8-azaspiro[4.5]decane has a molecular weight of 257.85 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chlorohexyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 63447004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).