3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide

C9H16N2O — CID 154997865

IUPAC3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCC1(C)NCC12CC(C(N)=O)C2
InChIInChI=1S/C9H16N2O/c1-8(2)9(5-11-8)3-6(4-9)7(10)12/h6,11H,3-5H2,1-2H3,(H2,10,12)
InChIKeyWHQYKGLXBQZNDY-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.25
Rot. Bonds1

About 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide

3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 154997865) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide
PubChem CID154997865
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCC1(C)NCC12CC(C(N)=O)C2
InChIInChI=1S/C9H16N2O/c1-8(2)9(5-11-8)3-6(4-9)7(10)12/h6,11H,3-5H2,1-2H3,(H2,10,12)
InChIKeyWHQYKGLXBQZNDY-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide (CID 154997865) is 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide is CC1(C)NCC12CC(C(N)=O)C2.
What is the InChIKey of 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is WHQYKGLXBQZNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)9(5-11-8)3-6(4-9)7(10)12/h6,11H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide?
3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 154997865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).