6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one

C12H25NO2 — CID 106801517

IUPAC6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC)CC(C)(C)O
InChIInChI=1S/C12H25NO2/c1-5-11(14)8-7-9-13(6-2)10-12(3,4)15/h15H,5-10H2,1-4H3
InChIKeyPUSBLPKMSKRPET-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.84
Rot. Bonds8

About 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one

6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one (PubChem CID 106801517) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
PubChem CID106801517
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC)CC(C)(C)O
InChIInChI=1S/C12H25NO2/c1-5-11(14)8-7-9-13(6-2)10-12(3,4)15/h15H,5-10H2,1-4H3
InChIKeyPUSBLPKMSKRPET-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
CID 105343823
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
CID 79047122
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
2-[ethyl(4-oxohexyl)amino]-N-methylacetamide
CID 106801333
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide
CID 79381978
N-ethyl-2-[ethyl(4-oxohexyl)amino]acetamide
CID 106801389
6-[ethyl(methyl)amino]hexan-3-one
CID 106801171
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
CID 90370489
1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol
CID 78963624
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 79380688

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one?
The IUPAC name of 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one (CID 106801517) is 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one.
What is the SMILES notation for 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one?
The canonical SMILES for 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one is CCC(=O)CCCN(CC)CC(C)(C)O.
What is the InChIKey of 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one?
The InChIKey is PUSBLPKMSKRPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-11(14)8-7-9-13(6-2)10-12(3,4)15/h15H,5-10H2,1-4H3.
What are the key properties of 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one?
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one has a molecular weight of 215.34 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one is sourced from PubChem (CID 106801517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).