dimethyl(propan-2-yl)azanium acetate

C7H17NO2 — CID 22134361

IUPACdimethyl(propan-2-yl)azanium acetate
SMILESCC(=O)[O-].CC(C)[NH+](C)C
InChIInChI=1S/C5H13N.C2H4O2/c1-5(2)6(3)4;1-2(3)4/h5H,1-4H3;1H3,(H,3,4)
InChIKeyNGXXOPJHVAHIEG-UHFFFAOYSA-N
MW147.22 g/mol
LogP-1.70
Rot. Bonds1

About dimethyl(propan-2-yl)azanium acetate

dimethyl(propan-2-yl)azanium acetate (PubChem CID 22134361) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is dimethyl(propan-2-yl)azanium acetate.

Molecular Properties

Compound Namedimethyl(propan-2-yl)azanium acetate
PubChem CID22134361
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Namedimethyl(propan-2-yl)azanium acetate
SMILESCC(=O)[O-].CC(C)[NH+](C)C
InChIInChI=1S/C5H13N.C2H4O2/c1-5(2)6(3)4;1-2(3)4/h5H,1-4H3;1H3,(H,3,4)
InChIKeyNGXXOPJHVAHIEG-UHFFFAOYSA-N
XLogP-1.70
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-ylazanium acetate
CID 22623609
diazanium;propan-2-olate;acetate
CID 141066617
sodium;propane-1,2-diol;acetate
CID 88844727
manganese(3+) diacetate
CID 159209977
(indium(3+)) diacetate
CID 173450278
terbium(3+) acetate
CID 22482914
tricalcium diacetate
CID 19804487
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057
bis(cobalt(2+));tetraacetate
CID 157121376
CID 170997571
CID 170997571
tris(barium(2+)) diacetate
CID 19804496

Frequently Asked Questions

What is the IUPAC name of dimethyl(propan-2-yl)azanium acetate?
The IUPAC name of dimethyl(propan-2-yl)azanium acetate (CID 22134361) is dimethyl(propan-2-yl)azanium acetate.
What is the SMILES notation for dimethyl(propan-2-yl)azanium acetate?
The canonical SMILES for dimethyl(propan-2-yl)azanium acetate is CC(=O)[O-].CC(C)[NH+](C)C.
What is the InChIKey of dimethyl(propan-2-yl)azanium acetate?
The InChIKey is NGXXOPJHVAHIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C2H4O2/c1-5(2)6(3)4;1-2(3)4/h5H,1-4H3;1H3,(H,3,4).
What are the key properties of dimethyl(propan-2-yl)azanium acetate?
dimethyl(propan-2-yl)azanium acetate has a molecular weight of 147.22 g/mol, XLogP of -1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(propan-2-yl)azanium acetate is sourced from PubChem (CID 22134361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).