methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate

C11H21NO2 — CID 116959146

IUPACmethyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate
SMILESCNC(CC(C)C)C1(C(=O)OC)CC1
InChIInChI=1S/C11H21NO2/c1-8(2)7-9(12-3)11(5-6-11)10(13)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyOFHLBCSVEJAPMG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds5

About methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate

methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate (PubChem CID 116959146) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate
PubChem CID116959146
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate
SMILESCNC(CC(C)C)C1(C(=O)OC)CC1
InChIInChI=1S/C11H21NO2/c1-8(2)7-9(12-3)11(5-6-11)10(13)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyOFHLBCSVEJAPMG-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate (CID 116959146) is methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate is CNC(CC(C)C)C1(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate?
The InChIKey is OFHLBCSVEJAPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)7-9(12-3)11(5-6-11)10(13)14-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate?
methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116959146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).