2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol

C12H23NO — CID 20501091

IUPAC2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
SMILESCC1(C)CC(O)CC2(CCCCC2)N1
InChIInChI=1S/C12H23NO/c1-11(2)8-10(14)9-12(13-11)6-4-3-5-7-12/h10,13-14H,3-9H2,1-2H3
InChIKeyKQFLQICIXFFTQZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds

About 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol

2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol (PubChem CID 20501091) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
PubChem CID20501091
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
SMILESCC1(C)CC(O)CC2(CCCCC2)N1
InChIInChI=1S/C12H23NO/c1-11(2)8-10(14)9-12(13-11)6-4-3-5-7-12/h10,13-14H,3-9H2,1-2H3
InChIKeyKQFLQICIXFFTQZ-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol (CID 20501091) is 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol is CC1(C)CC(O)CC2(CCCCC2)N1.
What is the InChIKey of 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
The InChIKey is KQFLQICIXFFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)8-10(14)9-12(13-11)6-4-3-5-7-12/h10,13-14H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 20501091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).