2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane

C12H23N — CID 90167869

IUPAC2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane
SMILESCC(C)C(C)(C)N1CC2(CCC2)C1
InChIInChI=1S/C12H23N/c1-10(2)11(3,4)13-8-12(9-13)6-5-7-12/h10H,5-9H2,1-4H3
InChIKeyGPNNAPACYBLQDP-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds2

About 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane

2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane (PubChem CID 90167869) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane
PubChem CID90167869
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane
SMILESCC(C)C(C)(C)N1CC2(CCC2)C1
InChIInChI=1S/C12H23N/c1-10(2)11(3,4)13-8-12(9-13)6-5-7-12/h10H,5-9H2,1-4H3
InChIKeyGPNNAPACYBLQDP-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane (CID 90167869) is 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane is CC(C)C(C)(C)N1CC2(CCC2)C1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane?
The InChIKey is GPNNAPACYBLQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)11(3,4)13-8-12(9-13)6-5-7-12/h10H,5-9H2,1-4H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane?
2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane has a molecular weight of 181.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 90167869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).