methyl 2,5-dimethyloctanimidate

C11H23NO — CID 134513318

IUPACmethyl 2,5-dimethyloctanimidate
SMILES[H]/N=C(\OC)C(C)CCC(C)CCC
InChIInChI=1S/C11H23NO/c1-5-6-9(2)7-8-10(3)11(12)13-4/h9-10,12H,5-8H2,1-4H3/b12-11-
InChIKeyHMDLDOXYOFVKAN-QXMHVHEDSA-N
MW185.31 g/mol
LogP3.46
Rot. Bonds6

About methyl 2,5-dimethyloctanimidate

methyl 2,5-dimethyloctanimidate (PubChem CID 134513318) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is methyl 2,5-dimethyloctanimidate.

Molecular Properties

Compound Namemethyl 2,5-dimethyloctanimidate
PubChem CID134513318
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Namemethyl 2,5-dimethyloctanimidate
SMILES[H]/N=C(\OC)C(C)CCC(C)CCC
InChIInChI=1S/C11H23NO/c1-5-6-9(2)7-8-10(3)11(12)13-4/h9-10,12H,5-8H2,1-4H3/b12-11-
InChIKeyHMDLDOXYOFVKAN-QXMHVHEDSA-N
XLogP3.46
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.46
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 2,5-dimethyloctanimidate?
The IUPAC name of methyl 2,5-dimethyloctanimidate (CID 134513318) is methyl 2,5-dimethyloctanimidate.
What is the SMILES notation for methyl 2,5-dimethyloctanimidate?
The canonical SMILES for methyl 2,5-dimethyloctanimidate is [H]/N=C(\OC)C(C)CCC(C)CCC.
What is the InChIKey of methyl 2,5-dimethyloctanimidate?
The InChIKey is HMDLDOXYOFVKAN-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-9(2)7-8-10(3)11(12)13-4/h9-10,12H,5-8H2,1-4H3/b12-11-.
What are the key properties of methyl 2,5-dimethyloctanimidate?
methyl 2,5-dimethyloctanimidate has a molecular weight of 185.31 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyloctanimidate is sourced from PubChem (CID 134513318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).