methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate

C12H23NO2 — CID 65236135

IUPACmethyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OC)CCC(C)C(C)C1
InChIInChI=1S/C12H23NO2/c1-9-5-6-12(13-3,7-10(9)2)8-11(14)15-4/h9-10,13H,5-8H2,1-4H3
InChIKeyKUJZLXWYZJNASL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds3

About methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate

methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate (PubChem CID 65236135) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate
PubChem CID65236135
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OC)CCC(C)C(C)C1
InChIInChI=1S/C12H23NO2/c1-9-5-6-12(13-3,7-10(9)2)8-11(14)15-4/h9-10,13H,5-8H2,1-4H3
InChIKeyKUJZLXWYZJNASL-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide
CID 65236459
methyl 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetate
CID 114820854
methyl 2-[3,3-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65234470
methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate
CID 82717713
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
methyl 1-hydroxy-3,4-dimethylcyclohexane-1-carboxylate
CID 64744701
methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
CID 171036863
methyl 2-[3,4-dimethyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
CID 22124244
ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate
CID 65236795
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240602
methyl 2-[(3S,4S)-3,4-dimethyl-1-(nitromethyl)cyclopentyl]acetate
CID 69305217

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate?
The IUPAC name of methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate (CID 65236135) is methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate?
The canonical SMILES for methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate is CNC1(CC(=O)OC)CCC(C)C(C)C1.
What is the InChIKey of methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate?
The InChIKey is KUJZLXWYZJNASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-5-6-12(13-3,7-10(9)2)8-11(14)15-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate?
methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate is sourced from PubChem (CID 65236135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).