(4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium

C9H20NO+ — CID 163999676

IUPAC(4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium
SMILESCC(C(=O)C(C)(C)C)[NH+](C)C
InChIInChI=1S/C9H19NO/c1-7(10(5)6)8(11)9(2,3)4/h7H,1-6H3/p+1
InChIKeyUHVXNQLNIPSTBA-UHFFFAOYSA-O
MW158.26 g/mol
LogP0.13
Rot. Bonds2

About (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium

(4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium (PubChem CID 163999676) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium.

Molecular Properties

Compound Name(4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium
PubChem CID163999676
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name(4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium
SMILESCC(C(=O)C(C)(C)C)[NH+](C)C
InChIInChI=1S/C9H19NO/c1-7(10(5)6)8(11)9(2,3)4/h7H,1-6H3/p+1
InChIKeyUHVXNQLNIPSTBA-UHFFFAOYSA-O
XLogP0.13
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R,5R)-5-hydroxy-2,2,4-trimethylheptan-3-one
CID 131857696
2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide
CID 138498566
(1S,2R)-1-hydroxy-2,4,4-trimethyl-1-(2,4,6-trimethylphenyl)pentan-3-one
CID 11991420
3-amino-2,5,5-trimethyl-4-oxohexanoic acid
CID 130346585
methane;3-methylbutan-2-one;2,2,4-trimethylpentan-3-one
CID 159361320
platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)
CID 174049170
2,2,4,4,5,7,7-heptamethyloctane-3,6-dione
CID 175618995
(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane
CID 160564575
2,2,4,5,5-pentamethylhexan-3-one;2,2,5,5-tetramethylhexane-3,4-dione
CID 161494050
2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
CID 166979510
2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one
CID 166460737
lithium 2,2,6,6-tetramethyl-3,5-dioxoheptan-4-olate
CID 102304336

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium?
The IUPAC name of (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium (CID 163999676) is (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium.
What is the SMILES notation for (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium?
The canonical SMILES for (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium is CC(C(=O)C(C)(C)C)[NH+](C)C.
What is the InChIKey of (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium?
The InChIKey is UHVXNQLNIPSTBA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO/c1-7(10(5)6)8(11)9(2,3)4/h7H,1-6H3/p+1.
What are the key properties of (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium?
(4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium has a molecular weight of 158.26 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium is sourced from PubChem (CID 163999676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).