tert-butyl methanimidate

C5H11NO — CID 54501499

IUPACtert-butyl methanimidate
SMILES[H]/N=C/OC(C)(C)C
InChIInChI=1S/C5H11NO/c1-5(2,3)7-4-6/h4,6H,1-3H3/b6-4+
InChIKeyYCTBKDLUSUYOSH-GQCTYLIASA-N
MW101.15 g/mol
LogP1.41
Rot. Bonds1

About tert-butyl methanimidate

tert-butyl methanimidate (PubChem CID 54501499) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is tert-butyl methanimidate.

Molecular Properties

Compound Nametert-butyl methanimidate
PubChem CID54501499
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Nametert-butyl methanimidate
SMILES[H]/N=C/OC(C)(C)C
InChIInChI=1S/C5H11NO/c1-5(2,3)7-4-6/h4,6H,1-3H3/b6-4+
InChIKeyYCTBKDLUSUYOSH-GQCTYLIASA-N
XLogP1.41
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl methanimidate;(E)-1-(5-chloro-2-methylphenyl)pent-1-en-3-one
CID 142887236
tert-butyl formate;ethane
CID 175326717
2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 57145495
methoxy methanimidate;2-methylbutane
CID 91144253
2-methylprop-1-enyl methanimidate
CID 143570958
[(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate
CID 123619100
1-imino-2-methylpropane-2-thiol
CID 89088380
2-bromo-2-methylpropan-1-imine
CID 142134063
2-(2,2-dichloroethenoxy)-2-methylpropane
CID 13035104
hexan-2-yl methanimidate
CID 123742650
diazene;ruthenium
CID 175399496
carbanide;ethane;iminomethyl methanimidate;yttrium
CID 177186714

Frequently Asked Questions

What is the IUPAC name of tert-butyl methanimidate?
The IUPAC name of tert-butyl methanimidate (CID 54501499) is tert-butyl methanimidate.
What is the SMILES notation for tert-butyl methanimidate?
The canonical SMILES for tert-butyl methanimidate is [H]/N=C/OC(C)(C)C.
What is the InChIKey of tert-butyl methanimidate?
The InChIKey is YCTBKDLUSUYOSH-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2,3)7-4-6/h4,6H,1-3H3/b6-4+.
What are the key properties of tert-butyl methanimidate?
tert-butyl methanimidate has a molecular weight of 101.15 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl methanimidate is sourced from PubChem (CID 54501499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).