(1-methoxy-4-methyl-1-oxopentan-3-yl)azanium

C7H16NO2+ — CID 135066036

IUPAC(1-methoxy-4-methyl-1-oxopentan-3-yl)azanium
SMILESCOC(=O)CC([NH3+])C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(8)4-7(9)10-3/h5-6H,4,8H2,1-3H3/p+1
InChIKeyVSYRRAKUNWIGRY-UHFFFAOYSA-O
MW146.21 g/mol
LogP-0.18
Rot. Bonds3

About (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium

(1-methoxy-4-methyl-1-oxopentan-3-yl)azanium (PubChem CID 135066036) has the molecular formula C7H16NO2+ and a molecular weight of 146.21 g/mol. Its IUPAC name is (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium.

Molecular Properties

Compound Name(1-methoxy-4-methyl-1-oxopentan-3-yl)azanium
PubChem CID135066036
Molecular FormulaC7H16NO2+
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(1-methoxy-4-methyl-1-oxopentan-3-yl)azanium
SMILESCOC(=O)CC([NH3+])C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(8)4-7(9)10-3/h5-6H,4,8H2,1-3H3/p+1
InChIKeyVSYRRAKUNWIGRY-UHFFFAOYSA-O
XLogP-0.18
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium?
The IUPAC name of (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium (CID 135066036) is (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium.
What is the SMILES notation for (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium?
The canonical SMILES for (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium is COC(=O)CC([NH3+])C(C)C.
What is the InChIKey of (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium?
The InChIKey is VSYRRAKUNWIGRY-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO2/c1-5(2)6(8)4-7(9)10-3/h5-6H,4,8H2,1-3H3/p+1.
What are the key properties of (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium?
(1-methoxy-4-methyl-1-oxopentan-3-yl)azanium has a molecular weight of 146.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methyl-1-oxopentan-3-yl)azanium is sourced from PubChem (CID 135066036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).