tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium

C11H24NO+ — CID 2063731

IUPACtert-butyl-(4,4-dimethyl-2-oxopentyl)azanium
SMILESCC(C)(C)CC(=O)C[NH2+]C(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)7-9(13)8-12-11(4,5)6/h12H,7-8H2,1-6H3/p+1
InChIKeyAISCFAXFBTVNQG-UHFFFAOYSA-O
MW186.32 g/mol
LogP1.35
Rot. Bonds3

About tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium

tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium (PubChem CID 2063731) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethyl-2-oxopentyl)azanium
PubChem CID2063731
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Nametert-butyl-(4,4-dimethyl-2-oxopentyl)azanium
SMILESCC(C)(C)CC(=O)C[NH2+]C(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)7-9(13)8-12-11(4,5)6/h12H,7-8H2,1-6H3/p+1
InChIKeyAISCFAXFBTVNQG-UHFFFAOYSA-O
XLogP1.35
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-4,4-dimethylpentan-2-one
CID 54132585
2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
methane;2,2,7,7-tetramethyloctan-4-one
CID 160856578
1-chloro-6,6-dimethylheptane-2,4-dione
CID 159748375
2,6-dimethylheptan-4-one;2,2,6-trimethylheptan-4-one
CID 167674911
4,4-dimethyl-1-methylsulfinylpentan-2-one
CID 14489832
1-cyclopropyl-4,4-dimethylpentan-2-one
CID 58286843
1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-2-one
CID 158276182
tris(6,6-dimethyl-2,4-dioxoheptanoate);indium(3+)
CID 174999023
methyl 6,6-dimethyl-4-oxoheptanoate
CID 13350540
3,3-dimethyl-1-silylbutan-1-one
CID 154090082
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium?
The IUPAC name of tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium (CID 2063731) is tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium.
What is the SMILES notation for tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium?
The canonical SMILES for tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium is CC(C)(C)CC(=O)C[NH2+]C(C)(C)C.
What is the InChIKey of tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium?
The InChIKey is AISCFAXFBTVNQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)7-9(13)8-12-11(4,5)6/h12H,7-8H2,1-6H3/p+1.
What are the key properties of tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium?
tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium has a molecular weight of 186.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dimethyl-2-oxopentyl)azanium is sourced from PubChem (CID 2063731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).