ethyl 2-methylpropanimidate

C6H13NO — CID 10419153

IUPACethyl 2-methylpropanimidate
SMILES[H]/N=C(\OCC)C(C)C
InChIInChI=1S/C6H13NO/c1-4-8-6(7)5(2)3/h5,7H,4H2,1-3H3/b7-6-
InChIKeyZXZQXWVPGASIQP-SREVYHEPSA-N
MW115.18 g/mol
LogP1.66
Rot. Bonds2

About ethyl 2-methylpropanimidate

ethyl 2-methylpropanimidate (PubChem CID 10419153) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is ethyl 2-methylpropanimidate.

Molecular Properties

Compound Nameethyl 2-methylpropanimidate
PubChem CID10419153
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nameethyl 2-methylpropanimidate
SMILES[H]/N=C(\OCC)C(C)C
InChIInChI=1S/C6H13NO/c1-4-8-6(7)5(2)3/h5,7H,4H2,1-3H3/b7-6-
InChIKeyZXZQXWVPGASIQP-SREVYHEPSA-N
XLogP1.66
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.66
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?
The IUPAC name of ethyl 2-methylpropanimidate (CID 10419153) is ethyl 2-methylpropanimidate.
What is the SMILES notation for ethyl 2-methylpropanimidate?
The canonical SMILES for ethyl 2-methylpropanimidate is [H]/N=C(\OCC)C(C)C.
What is the InChIKey of ethyl 2-methylpropanimidate?
The InChIKey is ZXZQXWVPGASIQP-SREVYHEPSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-8-6(7)5(2)3/h5,7H,4H2,1-3H3/b7-6-.
What are the key properties of ethyl 2-methylpropanimidate?
ethyl 2-methylpropanimidate has a molecular weight of 115.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpropanimidate is sourced from PubChem (CID 10419153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).