8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane

C12H22ClN — CID 139941622

IUPAC8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane
SMILESCC(CCl)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22ClN/c1-11(10-13)14-8-6-12(7-9-14)4-2-3-5-12/h11H,2-10H2,1H3
InChIKeyUVFGINXUJXAGAW-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.27
Rot. Bonds2

About 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane

8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane (PubChem CID 139941622) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane
PubChem CID139941622
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane
SMILESCC(CCl)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22ClN/c1-11(10-13)14-8-6-12(7-9-14)4-2-3-5-12/h11H,2-10H2,1H3
InChIKeyUVFGINXUJXAGAW-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane (CID 139941622) is 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane is CC(CCl)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane?
The InChIKey is UVFGINXUJXAGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-11(10-13)14-8-6-12(7-9-14)4-2-3-5-12/h11H,2-10H2,1H3.
What are the key properties of 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane?
8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane has a molecular weight of 215.77 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-chloropropan-2-yl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 139941622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).