2-methyl-2-azaspiro[3.3]heptane

C7H13N — CID 22975634

IUPAC2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CCC2)C1
InChIInChI=1S/C7H13N/c1-8-5-7(6-8)3-2-4-7/h2-6H2,1H3
InChIKeyXGDLDEYPRKHVQB-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.10
Rot. Bonds

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

2-methyl-2-azaspiro[3.3]heptane (PubChem CID 22975634) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-methyl-2-azaspiro[3.3]heptane
PubChem CID22975634
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CCC2)C1
InChIInChI=1S/C7H13N/c1-8-5-7(6-8)3-2-4-7/h2-6H2,1H3
InChIKeyXGDLDEYPRKHVQB-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 2-methyl-2-azaspiro[3.3]heptane (CID 22975634) is 2-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-methyl-2-azaspiro[3.3]heptane is CN1CC2(CCC2)C1.
What is the InChIKey of 2-methyl-2-azaspiro[3.3]heptane?
The InChIKey is XGDLDEYPRKHVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-8-5-7(6-8)3-2-4-7/h2-6H2,1H3.
What are the key properties of 2-methyl-2-azaspiro[3.3]heptane?
2-methyl-2-azaspiro[3.3]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 22975634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).