4-chloro-6-azaspiro[4.5]decane

C9H16ClN — CID 164898696

IUPAC4-chloro-6-azaspiro[4.5]decane
SMILESClC1CCCC12CCCCN2
InChIInChI=1S/C9H16ClN/c10-8-4-3-6-9(8)5-1-2-7-11-9/h8,11H,1-7H2
InChIKeyVBWHFTJEJXWVRZ-UHFFFAOYSA-N
MW173.69 g/mol
LogP2.29
Rot. Bonds

About 4-chloro-6-azaspiro[4.5]decane

4-chloro-6-azaspiro[4.5]decane (PubChem CID 164898696) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is 4-chloro-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-chloro-6-azaspiro[4.5]decane
PubChem CID164898696
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name4-chloro-6-azaspiro[4.5]decane
SMILESClC1CCCC12CCCCN2
InChIInChI=1S/C9H16ClN/c10-8-4-3-6-9(8)5-1-2-7-11-9/h8,11H,1-7H2
InChIKeyVBWHFTJEJXWVRZ-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-azaspiro[4.5]decane?
The IUPAC name of 4-chloro-6-azaspiro[4.5]decane (CID 164898696) is 4-chloro-6-azaspiro[4.5]decane.
What is the SMILES notation for 4-chloro-6-azaspiro[4.5]decane?
The canonical SMILES for 4-chloro-6-azaspiro[4.5]decane is ClC1CCCC12CCCCN2.
What is the InChIKey of 4-chloro-6-azaspiro[4.5]decane?
The InChIKey is VBWHFTJEJXWVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN/c10-8-4-3-6-9(8)5-1-2-7-11-9/h8,11H,1-7H2.
What are the key properties of 4-chloro-6-azaspiro[4.5]decane?
4-chloro-6-azaspiro[4.5]decane has a molecular weight of 173.69 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-azaspiro[4.5]decane is sourced from PubChem (CID 164898696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).