(3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate

C12H23NO2 — CID 62821410

IUPAC(3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OC1CCCC(C)C1
InChIInChI=1S/C12H23NO2/c1-9-6-5-7-10(8-9)15-11(14)12(2,3)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyWMWFMPFAMFQQKO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds3

About (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate

(3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate (PubChem CID 62821410) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate
PubChem CID62821410
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OC1CCCC(C)C1
InChIInChI=1S/C12H23NO2/c1-9-6-5-7-10(8-9)15-11(14)12(2,3)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyWMWFMPFAMFQQKO-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
The IUPAC name of (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate (CID 62821410) is (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
The canonical SMILES for (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate is CNC(C)(C)C(=O)OC1CCCC(C)C1.
What is the InChIKey of (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
The InChIKey is WMWFMPFAMFQQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-5-7-10(8-9)15-11(14)12(2,3)13-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
(3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 62821410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).