4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one

C12H19NO2 — CID 116608493

IUPAC4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one
SMILESCC(C)(C)C(N)CC(=O)Cc1ccco1
InChIInChI=1S/C12H19NO2/c1-12(2,3)11(13)8-9(14)7-10-5-4-6-15-10/h4-6,11H,7-8,13H2,1-3H3
InChIKeyBXYRSFIVASDZIW-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.15
Rot. Bonds4

About 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one

4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one (PubChem CID 116608493) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one.

Molecular Properties

Compound Name4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one
PubChem CID116608493
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one
SMILESCC(C)(C)C(N)CC(=O)Cc1ccco1
InChIInChI=1S/C12H19NO2/c1-12(2,3)11(13)8-9(14)7-10-5-4-6-15-10/h4-6,11H,7-8,13H2,1-3H3
InChIKeyBXYRSFIVASDZIW-UHFFFAOYSA-N
XLogP2.15
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2,6-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 116608453
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
CID 116574856
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
CID 116556195
1-(furan-2-yl)hexan-2-one
CID 3115857
1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589494
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one
CID 116608441
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one?
The IUPAC name of 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one (CID 116608493) is 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one.
What is the SMILES notation for 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one?
The canonical SMILES for 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one is CC(C)(C)C(N)CC(=O)Cc1ccco1.
What is the InChIKey of 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one?
The InChIKey is BXYRSFIVASDZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)11(13)8-9(14)7-10-5-4-6-15-10/h4-6,11H,7-8,13H2,1-3H3.
What are the key properties of 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one?
4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one is sourced from PubChem (CID 116608493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).