ethyl 2-methylpentanimidate

C8H17NO — CID 130995122

IUPACethyl 2-methylpentanimidate
SMILES[H]/N=C(\OCC)C(C)CCC
InChIInChI=1S/C8H17NO/c1-4-6-7(3)8(9)10-5-2/h7,9H,4-6H2,1-3H3/b9-8-
InChIKeyUTDJMPKGHLOSFI-HJWRWDBZSA-N
MW143.23 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-methylpentanimidate

ethyl 2-methylpentanimidate (PubChem CID 130995122) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethyl 2-methylpentanimidate.

Molecular Properties

Compound Nameethyl 2-methylpentanimidate
PubChem CID130995122
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethyl 2-methylpentanimidate
SMILES[H]/N=C(\OCC)C(C)CCC
InChIInChI=1S/C8H17NO/c1-4-6-7(3)8(9)10-5-2/h7,9H,4-6H2,1-3H3/b9-8-
InChIKeyUTDJMPKGHLOSFI-HJWRWDBZSA-N
XLogP2.44
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.44
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-methylpentanimidate?
The IUPAC name of ethyl 2-methylpentanimidate (CID 130995122) is ethyl 2-methylpentanimidate.
What is the SMILES notation for ethyl 2-methylpentanimidate?
The canonical SMILES for ethyl 2-methylpentanimidate is [H]/N=C(\OCC)C(C)CCC.
What is the InChIKey of ethyl 2-methylpentanimidate?
The InChIKey is UTDJMPKGHLOSFI-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-7(3)8(9)10-5-2/h7,9H,4-6H2,1-3H3/b9-8-.
What are the key properties of ethyl 2-methylpentanimidate?
ethyl 2-methylpentanimidate has a molecular weight of 143.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpentanimidate is sourced from PubChem (CID 130995122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).