3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one

C15H27NO2 — CID 116599992

IUPAC3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCC(C)(CN)C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-14(2,11-16)13(17)12-6-9-18-15(10-12)7-4-3-5-8-15/h12H,3-11,16H2,1-2H3
InChIKeyKCBFJVIZKVVCAH-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.67
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one

3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one (PubChem CID 116599992) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
PubChem CID116599992
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCC(C)(CN)C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-14(2,11-16)13(17)12-6-9-18-15(10-12)7-4-3-5-8-15/h12H,3-11,16H2,1-2H3
InChIKeyKCBFJVIZKVVCAH-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 103446684
2-methoxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116746779
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one
CID 79921640
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutan-1-one
CID 116610863
2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116746985
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116573884
2-(aminomethyl)-4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116597880
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one (CID 116599992) is 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one is CC(C)(CN)C(=O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
The InChIKey is KCBFJVIZKVVCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,11-16)13(17)12-6-9-18-15(10-12)7-4-3-5-8-15/h12H,3-11,16H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one is sourced from PubChem (CID 116599992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).