methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate

C14H27NO3 — CID 64746760

IUPACmethyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(COC1CCC(C)C(C)C1)C(=O)OC
InChIInChI=1S/C14H27NO3/c1-10-6-7-12(8-11(10)2)18-9-14(3,15-4)13(16)17-5/h10-12,15H,6-9H2,1-5H3
InChIKeyQEXFYTIFJITOLT-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.98
Rot. Bonds5

About methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate

methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate (PubChem CID 64746760) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate
PubChem CID64746760
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(COC1CCC(C)C(C)C1)C(=O)OC
InChIInChI=1S/C14H27NO3/c1-10-6-7-12(8-11(10)2)18-9-14(3,15-4)13(16)17-5/h10-12,15H,6-9H2,1-5H3
InChIKeyQEXFYTIFJITOLT-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)pentanoate
CID 64746965
methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate
CID 64747155
methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745588
methyl 2-amino-5-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoate
CID 64745594
3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile
CID 64746571
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylbutanamide
CID 64744615
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate
CID 114342006
methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate
CID 64730240
methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
CID 126976728
3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807323
2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile
CID 64746560
methyl 2,4,4-trimethyl-2-(methylamino)pentanoate
CID 134267857

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate?
The IUPAC name of methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate (CID 64746760) is methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate is CNC(C)(COC1CCC(C)C(C)C1)C(=O)OC.
What is the InChIKey of methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate?
The InChIKey is QEXFYTIFJITOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10-6-7-12(8-11(10)2)18-9-14(3,15-4)13(16)17-5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate?
methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate has a molecular weight of 257.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 64746760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).