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

C13H23NO2 — CID 116551697

IUPAC2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCC(N)C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-10(14)12(15)11-5-8-16-13(9-11)6-3-2-4-7-13/h10-11H,2-9,14H2,1H3
InChIKeyLMXDJZLVAWBYTQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.03
Rot. Bonds2

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

2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one (PubChem CID 116551697) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
PubChem CID116551697
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCC(N)C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-10(14)12(15)11-5-8-16-13(9-11)6-3-2-4-7-13/h10-11H,2-9,14H2,1H3
InChIKeyLMXDJZLVAWBYTQ-UHFFFAOYSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-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-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
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
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
CID 116606560
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
CID 116551165
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
The IUPAC name of 2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one (CID 116551697) is 2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one is CC(N)C(=O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
The InChIKey is LMXDJZLVAWBYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(14)12(15)11-5-8-16-13(9-11)6-3-2-4-7-13/h10-11H,2-9,14H2,1H3.
What are the key properties of 2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one is sourced from PubChem (CID 116551697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).