methyl 2-methyl-2-(2-methylbutylideneamino)propanoate

C10H19NO2 — CID 129309653

IUPACmethyl 2-methyl-2-(2-methylbutylideneamino)propanoate
SMILESCCC(C)/C=N/C(C)(C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-6-8(2)7-11-10(3,4)9(12)13-5/h7-8H,6H2,1-5H3/b11-7+
InChIKeyVGPHIBGFFRLYAN-YRNVUSSQSA-N
MW185.27 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-methyl-2-(2-methylbutylideneamino)propanoate

methyl 2-methyl-2-(2-methylbutylideneamino)propanoate (PubChem CID 129309653) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-methyl-2-(2-methylbutylideneamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2-methylbutylideneamino)propanoate
PubChem CID129309653
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-methyl-2-(2-methylbutylideneamino)propanoate
SMILESCCC(C)/C=N/C(C)(C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-6-8(2)7-11-10(3,4)9(12)13-5/h7-8H,6H2,1-5H3/b11-7+
InChIKeyVGPHIBGFFRLYAN-YRNVUSSQSA-N
XLogP2.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.05
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 2-methyl-2-(2-methylbutylideneamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(2-methylbutylideneamino)propanoate (CID 129309653) is methyl 2-methyl-2-(2-methylbutylideneamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(2-methylbutylideneamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(2-methylbutylideneamino)propanoate is CCC(C)/C=N/C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(2-methylbutylideneamino)propanoate?
The InChIKey is VGPHIBGFFRLYAN-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-8(2)7-11-10(3,4)9(12)13-5/h7-8H,6H2,1-5H3/b11-7+.
What are the key properties of methyl 2-methyl-2-(2-methylbutylideneamino)propanoate?
methyl 2-methyl-2-(2-methylbutylideneamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2-methylbutylideneamino)propanoate is sourced from PubChem (CID 129309653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).