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

C14H25NO2 — CID 116564442

IUPAC3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCC(CN)C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-11(10-15)13(16)12-5-8-17-14(9-12)6-3-2-4-7-14/h11-12H,2-10,15H2,1H3
InChIKeyRCEBSZOUQDTVSC-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.28
Rot. Bonds3

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

3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one (PubChem CID 116564442) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
PubChem CID116564442
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCC(CN)C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-11(10-15)13(16)12-5-8-17-14(9-12)6-3-2-4-7-14/h11-12H,2-10,15H2,1H3
InChIKeyRCEBSZOUQDTVSC-UHFFFAOYSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116573884
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
2-(aminomethyl)-4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116597880
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
3-amino-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116564639
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
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-one
CID 116597911
3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116599992
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
CID 116606560

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one (CID 116564442) is 3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one is CC(CN)C(=O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
The InChIKey is RCEBSZOUQDTVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(10-15)13(16)12-5-8-17-14(9-12)6-3-2-4-7-14/h11-12H,2-10,15H2,1H3.
What are the key properties of 3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one?
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one is sourced from PubChem (CID 116564442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).