ethyl 2-(2-methylpropanoylamino)ethanimidate

C8H16N2O2 — CID 45122879

IUPACethyl 2-(2-methylpropanoylamino)ethanimidate
SMILES[H]/N=C(/CNC(=O)C(C)C)OCC
InChIInChI=1S/C8H16N2O2/c1-4-12-7(9)5-10-8(11)6(2)3/h6,9H,4-5H2,1-3H3,(H,10,11)/b9-7-
InChIKeyIWYROMMQYJBZHJ-CLFYSBASSA-N
MW172.23 g/mol
LogP0.77
Rot. Bonds4

About ethyl 2-(2-methylpropanoylamino)ethanimidate

ethyl 2-(2-methylpropanoylamino)ethanimidate (PubChem CID 45122879) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl 2-(2-methylpropanoylamino)ethanimidate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropanoylamino)ethanimidate
PubChem CID45122879
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl 2-(2-methylpropanoylamino)ethanimidate
SMILES[H]/N=C(/CNC(=O)C(C)C)OCC
InChIInChI=1S/C8H16N2O2/c1-4-12-7(9)5-10-8(11)6(2)3/h6,9H,4-5H2,1-3H3,(H,10,11)/b9-7-
InChIKeyIWYROMMQYJBZHJ-CLFYSBASSA-N
XLogP0.77
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271
ethyl 3-ethoxy-3-iminopropanoate;propanoic acid;hydrochloride
CID 160619856
N-(4-amino-4-iminobutyl)-2-methylpropanamide
CID 159846506
N-ethoxy-2-methylpropanamide
CID 60717901
ethyl 2-methylpropanoate;2-methylpropanehydrazide
CID 159155209
ethyl 6-amino-6-oxohexanimidate;hydrochloride
CID 87460116
N-(aminomethyl)-2-methylpropanamide
CID 88582106
[2-(2-methylpropanoylamino)acetyl] butaneperoxoate
CID 126720929
ethyl N-(2-iminobutyl)carbamate
CID 174657995
benzyl 2-[(2-ethoxy-2-iminoethyl)amino]acetate
CID 170231683
2-methylpropyl 3-oxopentanimidate
CID 137470668
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpropanoylamino)ethanimidate?
The IUPAC name of ethyl 2-(2-methylpropanoylamino)ethanimidate (CID 45122879) is ethyl 2-(2-methylpropanoylamino)ethanimidate.
What is the SMILES notation for ethyl 2-(2-methylpropanoylamino)ethanimidate?
The canonical SMILES for ethyl 2-(2-methylpropanoylamino)ethanimidate is [H]/N=C(/CNC(=O)C(C)C)OCC.
What is the InChIKey of ethyl 2-(2-methylpropanoylamino)ethanimidate?
The InChIKey is IWYROMMQYJBZHJ-CLFYSBASSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-12-7(9)5-10-8(11)6(2)3/h6,9H,4-5H2,1-3H3,(H,10,11)/b9-7-.
What are the key properties of ethyl 2-(2-methylpropanoylamino)ethanimidate?
ethyl 2-(2-methylpropanoylamino)ethanimidate has a molecular weight of 172.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpropanoylamino)ethanimidate is sourced from PubChem (CID 45122879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).