ethyl 2-methylpropanimidate;hydrochloride

C6H14ClNO — CID 12816252

IUPACethyl 2-methylpropanimidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C(C)C
InChIInChI=1S/C6H13NO.ClH/c1-4-8-6(7)5(2)3;/h5,7H,4H2,1-3H3;1H/b7-6-;
InChIKeyLWNZWFFRNHYXPX-NAFXZHHSSA-N
MW151.64 g/mol
LogP2.08
Rot. Bonds2

About ethyl 2-methylpropanimidate;hydrochloride

ethyl 2-methylpropanimidate;hydrochloride (PubChem CID 12816252) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is ethyl 2-methylpropanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-methylpropanimidate;hydrochloride
PubChem CID12816252
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Nameethyl 2-methylpropanimidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C(C)C
InChIInChI=1S/C6H13NO.ClH/c1-4-8-6(7)5(2)3;/h5,7H,4H2,1-3H3;1H/b7-6-;
InChIKeyLWNZWFFRNHYXPX-NAFXZHHSSA-N
XLogP2.08
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpropanimidate;hydrochloride?
The IUPAC name of ethyl 2-methylpropanimidate;hydrochloride (CID 12816252) is ethyl 2-methylpropanimidate;hydrochloride.
What is the SMILES notation for ethyl 2-methylpropanimidate;hydrochloride?
The canonical SMILES for ethyl 2-methylpropanimidate;hydrochloride is Cl.[H]/N=C(\OCC)C(C)C.
What is the InChIKey of ethyl 2-methylpropanimidate;hydrochloride?
The InChIKey is LWNZWFFRNHYXPX-NAFXZHHSSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-4-8-6(7)5(2)3;/h5,7H,4H2,1-3H3;1H/b7-6-;.
What are the key properties of ethyl 2-methylpropanimidate;hydrochloride?
ethyl 2-methylpropanimidate;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpropanimidate;hydrochloride is sourced from PubChem (CID 12816252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).