3,6-dimethyl-6-azaspiro[3.4]octane

C9H17N — CID 118029269

IUPAC3,6-dimethyl-6-azaspiro[3.4]octane
SMILESCC1CCC12CCN(C)C2
InChIInChI=1S/C9H17N/c1-8-3-4-9(8)5-6-10(2)7-9/h8H,3-7H2,1-2H3
InChIKeyGADFHEYJXZKNSR-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.74
Rot. Bonds

About 3,6-dimethyl-6-azaspiro[3.4]octane

3,6-dimethyl-6-azaspiro[3.4]octane (PubChem CID 118029269) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,6-dimethyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name3,6-dimethyl-6-azaspiro[3.4]octane
PubChem CID118029269
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,6-dimethyl-6-azaspiro[3.4]octane
SMILESCC1CCC12CCN(C)C2
InChIInChI=1S/C9H17N/c1-8-3-4-9(8)5-6-10(2)7-9/h8H,3-7H2,1-2H3
InChIKeyGADFHEYJXZKNSR-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-6-azaspiro[3.4]octane?
The IUPAC name of 3,6-dimethyl-6-azaspiro[3.4]octane (CID 118029269) is 3,6-dimethyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 3,6-dimethyl-6-azaspiro[3.4]octane?
The canonical SMILES for 3,6-dimethyl-6-azaspiro[3.4]octane is CC1CCC12CCN(C)C2.
What is the InChIKey of 3,6-dimethyl-6-azaspiro[3.4]octane?
The InChIKey is GADFHEYJXZKNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-3-4-9(8)5-6-10(2)7-9/h8H,3-7H2,1-2H3.
What are the key properties of 3,6-dimethyl-6-azaspiro[3.4]octane?
3,6-dimethyl-6-azaspiro[3.4]octane has a molecular weight of 139.24 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 118029269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).