(5,5-dimethyl-2-oxohexan-3-yl)azanium

C8H18NO+ — CID 166444943

IUPAC(5,5-dimethyl-2-oxohexan-3-yl)azanium
SMILESCC(=O)C([NH3+])CC(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(10)7(9)5-8(2,3)4/h7H,5,9H2,1-4H3/p+1
InChIKeyQFNUCVWBSOSYMY-UHFFFAOYSA-O
MW144.24 g/mol
LogP0.62
Rot. Bonds2

About (5,5-dimethyl-2-oxohexan-3-yl)azanium

(5,5-dimethyl-2-oxohexan-3-yl)azanium (PubChem CID 166444943) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is (5,5-dimethyl-2-oxohexan-3-yl)azanium.

Molecular Properties

Compound Name(5,5-dimethyl-2-oxohexan-3-yl)azanium
PubChem CID166444943
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name(5,5-dimethyl-2-oxohexan-3-yl)azanium
SMILESCC(=O)C([NH3+])CC(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(10)7(9)5-8(2,3)4/h7H,5,9H2,1-4H3/p+1
InChIKeyQFNUCVWBSOSYMY-UHFFFAOYSA-O
XLogP0.62
TPSA44.71 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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-2-oxohexan-3-yl)azanium?
The IUPAC name of (5,5-dimethyl-2-oxohexan-3-yl)azanium (CID 166444943) is (5,5-dimethyl-2-oxohexan-3-yl)azanium.
What is the SMILES notation for (5,5-dimethyl-2-oxohexan-3-yl)azanium?
The canonical SMILES for (5,5-dimethyl-2-oxohexan-3-yl)azanium is CC(=O)C([NH3+])CC(C)(C)C.
What is the InChIKey of (5,5-dimethyl-2-oxohexan-3-yl)azanium?
The InChIKey is QFNUCVWBSOSYMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-6(10)7(9)5-8(2,3)4/h7H,5,9H2,1-4H3/p+1.
What are the key properties of (5,5-dimethyl-2-oxohexan-3-yl)azanium?
(5,5-dimethyl-2-oxohexan-3-yl)azanium has a molecular weight of 144.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2-oxohexan-3-yl)azanium is sourced from PubChem (CID 166444943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).