methyl 4-methyl-2-methyliminopentanoate

C8H15NO2 — CID 123195850

IUPACmethyl 4-methyl-2-methyliminopentanoate
SMILESC/N=C(\CC(C)C)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-6(2)5-7(9-3)8(10)11-4/h6H,5H2,1-4H3/b9-7+
InChIKeyITNXXZIZRRTFAC-VQHVLOKHSA-N
MW157.21 g/mol
LogP1.28
Rot. Bonds3

About methyl 4-methyl-2-methyliminopentanoate

methyl 4-methyl-2-methyliminopentanoate (PubChem CID 123195850) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 4-methyl-2-methyliminopentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-methyliminopentanoate
PubChem CID123195850
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 4-methyl-2-methyliminopentanoate
SMILESC/N=C(\CC(C)C)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-6(2)5-7(9-3)8(10)11-4/h6H,5H2,1-4H3/b9-7+
InChIKeyITNXXZIZRRTFAC-VQHVLOKHSA-N
XLogP1.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-methyliminopentanoate?
The IUPAC name of methyl 4-methyl-2-methyliminopentanoate (CID 123195850) is methyl 4-methyl-2-methyliminopentanoate.
What is the SMILES notation for methyl 4-methyl-2-methyliminopentanoate?
The canonical SMILES for methyl 4-methyl-2-methyliminopentanoate is C/N=C(\CC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-methyliminopentanoate?
The InChIKey is ITNXXZIZRRTFAC-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)5-7(9-3)8(10)11-4/h6H,5H2,1-4H3/b9-7+.
What are the key properties of methyl 4-methyl-2-methyliminopentanoate?
methyl 4-methyl-2-methyliminopentanoate has a molecular weight of 157.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-methyliminopentanoate is sourced from PubChem (CID 123195850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).