(4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate

C13H25NO2 — CID 114341563

IUPAC(4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OC1CCC(C)(C)CC1
InChIInChI=1S/C13H25NO2/c1-12(2)8-6-10(7-9-12)16-11(15)13(3,4)14-5/h10,14H,6-9H2,1-5H3
InChIKeyGESCDJRFOGIOBL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds3

About (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate

(4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate (PubChem CID 114341563) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate
PubChem CID114341563
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OC1CCC(C)(C)CC1
InChIInChI=1S/C13H25NO2/c1-12(2)8-6-10(7-9-12)16-11(15)13(3,4)14-5/h10,14H,6-9H2,1-5H3
InChIKeyGESCDJRFOGIOBL-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylcyclohexyl) 2-chloro-2-methylpropanoate
CID 164738028
(3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62821410
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate
CID 114342006
(4,4-dimethylcyclohexyl) 2-hydroxyacetate
CID 131154209
(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate
CID 114341464
2-(4,4-dimethylcyclohexyl)oxycarbonyl-5-methylcyclohexane-1-carboxylic acid
CID 139821225
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
(4,4-dimethylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 114341456
spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate
CID 162724749
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62822105
methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
CID 80706394
(4-cyano-4-hydroxycyclohexyl) 2,2-dimethylpropanoate
CID 102379544

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
The IUPAC name of (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate (CID 114341563) is (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
The canonical SMILES for (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate is CNC(C)(C)C(=O)OC1CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
The InChIKey is GESCDJRFOGIOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)8-6-10(7-9-12)16-11(15)13(3,4)14-5/h10,14H,6-9H2,1-5H3.
What are the key properties of (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
(4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 114341563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).