1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one

C14H25NO — CID 66107420

IUPAC1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one
SMILESCC1CC(C)(C)CC2(CC(=O)NC2(C)C)C1
InChIInChI=1S/C14H25NO/c1-10-6-12(2,3)9-14(7-10)8-11(16)15-13(14,4)5/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyYMLLSVNETHZHMM-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.12
Rot. Bonds

About 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one

1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one (PubChem CID 66107420) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one
PubChem CID66107420
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one
SMILESCC1CC(C)(C)CC2(CC(=O)NC2(C)C)C1
InChIInChI=1S/C14H25NO/c1-10-6-12(2,3)9-14(7-10)8-11(16)15-13(14,4)5/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyYMLLSVNETHZHMM-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one (CID 66107420) is 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one is CC1CC(C)(C)CC2(CC(=O)NC2(C)C)C1.
What is the InChIKey of 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is YMLLSVNETHZHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-6-12(2,3)9-14(7-10)8-11(16)15-13(14,4)5/h10H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one?
1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 223.36 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66107420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).