methoxy methanimidate;2-methylbutane

C7H17NO2 — CID 91144253

IUPACmethoxy methanimidate;2-methylbutane
SMILESCCC(C)C.[H]/N=C/OOC
InChIInChI=1S/C5H12.C2H5NO2/c1-4-5(2)3;1-4-5-2-3/h5H,4H2,1-3H3;2-3H,1H3/b;3-2+
InChIKeyHVRIOYJHBOEOIA-ZPYUXNTASA-N
MW147.22 g/mol
LogP2.22
Rot. Bonds3

About methoxy methanimidate;2-methylbutane

methoxy methanimidate;2-methylbutane (PubChem CID 91144253) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is methoxy methanimidate;2-methylbutane.

Molecular Properties

Compound Namemethoxy methanimidate;2-methylbutane
PubChem CID91144253
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Namemethoxy methanimidate;2-methylbutane
SMILESCCC(C)C.[H]/N=C/OOC
InChIInChI=1S/C5H12.C2H5NO2/c1-4-5(2)3;1-4-5-2-3/h5H,4H2,1-3H3;2-3H,1H3/b;3-2+
InChIKeyHVRIOYJHBOEOIA-ZPYUXNTASA-N
XLogP2.22
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy methanimidate;2-methylbutane?
The IUPAC name of methoxy methanimidate;2-methylbutane (CID 91144253) is methoxy methanimidate;2-methylbutane.
What is the SMILES notation for methoxy methanimidate;2-methylbutane?
The canonical SMILES for methoxy methanimidate;2-methylbutane is CCC(C)C.[H]/N=C/OOC.
What is the InChIKey of methoxy methanimidate;2-methylbutane?
The InChIKey is HVRIOYJHBOEOIA-ZPYUXNTASA-N. The full InChI is InChI=1S/C5H12.C2H5NO2/c1-4-5(2)3;1-4-5-2-3/h5H,4H2,1-3H3;2-3H,1H3/b;3-2+.
What are the key properties of methoxy methanimidate;2-methylbutane?
methoxy methanimidate;2-methylbutane has a molecular weight of 147.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy methanimidate;2-methylbutane is sourced from PubChem (CID 91144253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).