7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H32N2O2 — CID 45186740

IUPAC7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)CN1CCCC2(CCN(C3CCOCC3)C2)C1=O
InChIInChI=1S/C18H32N2O2/c1-17(2,3)13-20-9-4-7-18(16(20)21)8-10-19(14-18)15-5-11-22-12-6-15/h15H,4-14H2,1-3H3
InChIKeyXRHXGMNVXVLVJP-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.53
Rot. Bonds2

About 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45186740) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45186740
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)CN1CCCC2(CCN(C3CCOCC3)C2)C1=O
InChIInChI=1S/C18H32N2O2/c1-17(2,3)13-20-9-4-7-18(16(20)21)8-10-19(14-18)15-5-11-22-12-6-15/h15H,4-14H2,1-3H3
InChIKeyXRHXGMNVXVLVJP-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-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 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 45186740) is 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)(C)CN1CCCC2(CCN(C3CCOCC3)C2)C1=O.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XRHXGMNVXVLVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-17(2,3)13-20-9-4-7-18(16(20)21)8-10-19(14-18)15-5-11-22-12-6-15/h15H,4-14H2,1-3H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 308.47 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45186740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).