methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate

C15H29NO3 — CID 114342006

IUPACmethyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate
SMILESCNC(C)(CCOC1CCC(C)(C)CC1)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-14(2)8-6-12(7-9-14)19-11-10-15(3,16-4)13(17)18-5/h12,16H,6-11H2,1-5H3
InChIKeyLVVVYLVEHIAJBJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.51
Rot. Bonds6

About methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate

methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate (PubChem CID 114342006) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate
PubChem CID114342006
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate
SMILESCNC(C)(CCOC1CCC(C)(C)CC1)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-14(2)8-6-12(7-9-14)19-11-10-15(3,16-4)13(17)18-5/h12,16H,6-11H2,1-5H3
InChIKeyLVVVYLVEHIAJBJ-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.51
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-(4,4-dimethylcyclohexyl)oxypropanoate
CID 114342105
(4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 114341563
4-(4,4-dimethylcyclohexyl)oxy-2,2-dimethylbutanethioamide
CID 114341120
methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate
CID 102607468
methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate
CID 64746760
methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62381935
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 114342050
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716
methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
CID 126976728
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
methyl 2,4,4-trimethyl-2-(methylamino)pentanoate
CID 134267857

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate (CID 114342006) is methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate is CNC(C)(CCOC1CCC(C)(C)CC1)C(=O)OC.
What is the InChIKey of methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate?
The InChIKey is LVVVYLVEHIAJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-14(2)8-6-12(7-9-14)19-11-10-15(3,16-4)13(17)18-5/h12,16H,6-11H2,1-5H3.
What are the key properties of methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate?
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate has a molecular weight of 271.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 114342006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).