4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one

C11H23NO2 — CID 116608413

IUPAC4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one
SMILESCC(C)OCC(=O)CC(N)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)14-7-9(13)6-10(12)11(3,4)5/h8,10H,6-7,12H2,1-5H3
InChIKeyPOBQDYHVPKBDCC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one

4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one (PubChem CID 116608413) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one.

Molecular Properties

Compound Name4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one
PubChem CID116608413
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one
SMILESCC(C)OCC(=O)CC(N)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)14-7-9(13)6-10(12)11(3,4)5/h8,10H,6-7,12H2,1-5H3
InChIKeyPOBQDYHVPKBDCC-UHFFFAOYSA-N
XLogP1.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-propan-2-yloxypentan-2-one
CID 116555847
4-ethyl-1-propan-2-yloxyhexan-2-one
CID 105125435
tert-butyl 3-oxo-4-propan-2-yloxybutanoate
CID 57444543
4-(aminomethyl)-1-propan-2-yloxyhexan-2-one
CID 116596211
3,3-dimethyl-1-propan-2-yloxybutan-2-one
CID 43798828
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
4,4,4-trifluoro-1-propan-2-yloxybutan-2-one
CID 79568383
1-methoxy-4,5,5-trimethylhexan-2-one
CID 115783352
11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione
CID 158079491
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
1-(dimethylamino)-3-propan-2-yloxypropan-2-one
CID 79567997
1-methylsulfonyl-3-propan-2-yloxypropan-2-one
CID 115785118

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one?
The IUPAC name of 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one (CID 116608413) is 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one.
What is the SMILES notation for 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one?
The canonical SMILES for 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one is CC(C)OCC(=O)CC(N)C(C)(C)C.
What is the InChIKey of 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one?
The InChIKey is POBQDYHVPKBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)14-7-9(13)6-10(12)11(3,4)5/h8,10H,6-7,12H2,1-5H3.
What are the key properties of 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one?
4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one is sourced from PubChem (CID 116608413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).