[3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate

C11H23NO2 — CID 134566936

IUPAC[3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate
SMILESCNCC(COC=O)(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)11(6-12-5,10(3)4)7-14-8-13/h8-10,12H,6-7H2,1-5H3
InChIKeyGDEPNVLIJQTGLF-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.68
Rot. Bonds7

About [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate

[3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate (PubChem CID 134566936) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate.

Molecular Properties

Compound Name[3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate
PubChem CID134566936
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate
SMILESCNCC(COC=O)(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)11(6-12-5,10(3)4)7-14-8-13/h8-10,12H,6-7H2,1-5H3
InChIKeyGDEPNVLIJQTGLF-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate?
The IUPAC name of [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate (CID 134566936) is [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate.
What is the SMILES notation for [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate?
The canonical SMILES for [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate is CNCC(COC=O)(C(C)C)C(C)C.
What is the InChIKey of [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate?
The InChIKey is GDEPNVLIJQTGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)11(6-12-5,10(3)4)7-14-8-13/h8-10,12H,6-7H2,1-5H3.
What are the key properties of [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate?
[3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate has a molecular weight of 201.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(methylaminomethyl)-2-propan-2-ylbutyl] formate is sourced from PubChem (CID 134566936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).