2,2-dimethyl-1-azaspiro[2.3]hexane

C7H13N — CID 565856

IUPAC2,2-dimethyl-1-azaspiro[2.3]hexane
SMILESCC1(C)NC12CCC2
InChIInChI=1S/C7H13N/c1-6(2)7(8-6)4-3-5-7/h8H,3-5H2,1-2H3
InChIKeyNOOFIMYCZCAZSL-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.29
Rot. Bonds

About 2,2-dimethyl-1-azaspiro[2.3]hexane

2,2-dimethyl-1-azaspiro[2.3]hexane (PubChem CID 565856) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2,2-dimethyl-1-azaspiro[2.3]hexane.

Molecular Properties

Compound Name2,2-dimethyl-1-azaspiro[2.3]hexane
PubChem CID565856
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2,2-dimethyl-1-azaspiro[2.3]hexane
SMILESCC1(C)NC12CCC2
InChIInChI=1S/C7H13N/c1-6(2)7(8-6)4-3-5-7/h8H,3-5H2,1-2H3
InChIKeyNOOFIMYCZCAZSL-UHFFFAOYSA-N
XLogP1.29
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-azaspiro[2.3]hexane?
The IUPAC name of 2,2-dimethyl-1-azaspiro[2.3]hexane (CID 565856) is 2,2-dimethyl-1-azaspiro[2.3]hexane.
What is the SMILES notation for 2,2-dimethyl-1-azaspiro[2.3]hexane?
The canonical SMILES for 2,2-dimethyl-1-azaspiro[2.3]hexane is CC1(C)NC12CCC2.
What is the InChIKey of 2,2-dimethyl-1-azaspiro[2.3]hexane?
The InChIKey is NOOFIMYCZCAZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7(8-6)4-3-5-7/h8H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-azaspiro[2.3]hexane?
2,2-dimethyl-1-azaspiro[2.3]hexane has a molecular weight of 111.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-azaspiro[2.3]hexane is sourced from PubChem (CID 565856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).