(3,3-dimethyl-2-oxobutyl)-dimethylazanium

C8H18NO+ — CID 51381483

IUPAC(3,3-dimethyl-2-oxobutyl)-dimethylazanium
SMILESC[NH+](C)CC(=O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-8(2,3)7(10)6-9(4)5/h6H2,1-5H3/p+1
InChIKeyDKCMBQQCVLWTAW-UHFFFAOYSA-O
MW144.24 g/mol
LogP-0.25
Rot. Bonds2

About (3,3-dimethyl-2-oxobutyl)-dimethylazanium

(3,3-dimethyl-2-oxobutyl)-dimethylazanium (PubChem CID 51381483) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl)-dimethylazanium.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl)-dimethylazanium
PubChem CID51381483
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name(3,3-dimethyl-2-oxobutyl)-dimethylazanium
SMILESC[NH+](C)CC(=O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-8(2,3)7(10)6-9(4)5/h6H2,1-5H3/p+1
InChIKeyDKCMBQQCVLWTAW-UHFFFAOYSA-O
XLogP-0.25
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,3-Dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one;hydrobromide
CID 16196148
2-Butanone, 1,1'-iminobis[3,3-dimethyl-
CID 2329821
Sbb002883
CID 1415652
3,3-Dimethyl-4-methylamino-butan-2-one
CID 541550
2-Butanone, 3,3-dimethyl-1-[(1-methylethyl)amino]-
CID 2329819
1-(Dimethylamino)-3,3-dimethylbutan-2-one
CID 314817
3,3-Dimethyl-1-(methylamino)-2-butanone
CID 1415631
3,3-Dimethyl-1-(methylamino)butan-2-one hydrochloride
CID 53444475
1-[(3,3-Dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one bromide
CID 49876586
(3,3-Dimethyl-2-oxobutyl)-trimethylazanium
CID 4737395
1-(Ethylamino)-3,3-dimethylbutan-2-one
CID 9989378
1-(Diethylamino)-3,3-dimethylbutan-2-one
CID 12921261

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxobutyl)-dimethylazanium?
The IUPAC name of (3,3-dimethyl-2-oxobutyl)-dimethylazanium (CID 51381483) is (3,3-dimethyl-2-oxobutyl)-dimethylazanium.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl)-dimethylazanium?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl)-dimethylazanium is C[NH+](C)CC(=O)C(C)(C)C.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl)-dimethylazanium?
The InChIKey is DKCMBQQCVLWTAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)7(10)6-9(4)5/h6H2,1-5H3/p+1.
What are the key properties of (3,3-dimethyl-2-oxobutyl)-dimethylazanium?
(3,3-dimethyl-2-oxobutyl)-dimethylazanium has a molecular weight of 144.24 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl)-dimethylazanium is sourced from PubChem (CID 51381483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).