6-chloro-2-methyl-2-azaspiro[3.3]heptane

C7H12ClN — CID 118974347

IUPAC6-chloro-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CC(Cl)C2)C1
InChIInChI=1S/C7H12ClN/c1-9-4-7(5-9)2-6(8)3-7/h6H,2-5H2,1H3
InChIKeyVKHXIBZASGYJNR-UHFFFAOYSA-N
MW145.63 g/mol
LogP1.32
Rot. Bonds

About 6-chloro-2-methyl-2-azaspiro[3.3]heptane

6-chloro-2-methyl-2-azaspiro[3.3]heptane (PubChem CID 118974347) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is 6-chloro-2-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-chloro-2-methyl-2-azaspiro[3.3]heptane
PubChem CID118974347
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name6-chloro-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CC(Cl)C2)C1
InChIInChI=1S/C7H12ClN/c1-9-4-7(5-9)2-6(8)3-7/h6H,2-5H2,1H3
InChIKeyVKHXIBZASGYJNR-UHFFFAOYSA-N
XLogP1.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 51.32
H-Bond Donors ≤ 50
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 6-chloro-2-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-chloro-2-methyl-2-azaspiro[3.3]heptane (CID 118974347) is 6-chloro-2-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-chloro-2-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-chloro-2-methyl-2-azaspiro[3.3]heptane is CN1CC2(CC(Cl)C2)C1.
What is the InChIKey of 6-chloro-2-methyl-2-azaspiro[3.3]heptane?
The InChIKey is VKHXIBZASGYJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN/c1-9-4-7(5-9)2-6(8)3-7/h6H,2-5H2,1H3.
What are the key properties of 6-chloro-2-methyl-2-azaspiro[3.3]heptane?
6-chloro-2-methyl-2-azaspiro[3.3]heptane has a molecular weight of 145.63 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 118974347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).