methyl 4-methylhexanimidate

C8H17NO — CID 57248628

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

About methyl 4-methylhexanimidate

methyl 4-methylhexanimidate (PubChem CID 57248628) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is methyl 4-methylhexanimidate.

Molecular Properties

Compound Namemethyl 4-methylhexanimidate
PubChem CID57248628
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namemethyl 4-methylhexanimidate
SMILES[H]/N=C(/CCC(C)CC)OC
InChIInChI=1S/C8H17NO/c1-4-7(2)5-6-8(9)10-3/h7,9H,4-6H2,1-3H3/b9-8-
InChIKeyWIAUPTHLRJTUHH-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 methyl 4-methylhexanimidate?
The IUPAC name of methyl 4-methylhexanimidate (CID 57248628) is methyl 4-methylhexanimidate.
What is the SMILES notation for methyl 4-methylhexanimidate?
The canonical SMILES for methyl 4-methylhexanimidate is [H]/N=C(/CCC(C)CC)OC.
What is the InChIKey of methyl 4-methylhexanimidate?
The InChIKey is WIAUPTHLRJTUHH-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(2)5-6-8(9)10-3/h7,9H,4-6H2,1-3H3/b9-8-.
What are the key properties of methyl 4-methylhexanimidate?
methyl 4-methylhexanimidate 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 methyl 4-methylhexanimidate is sourced from PubChem (CID 57248628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).