methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate

C15H29NO2 — CID 79621216

IUPACmethyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate
SMILESCCC1CCC(N(C)CC(C)(C)C(=O)OC)CC1
InChIInChI=1S/C15H29NO2/c1-6-12-7-9-13(10-8-12)16(4)11-15(2,3)14(17)18-5/h12-13H,6-11H2,1-5H3
InChIKeyWVZDDWWJVOKCEJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.09
Rot. Bonds5

About methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate

methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate (PubChem CID 79621216) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate
PubChem CID79621216
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate
SMILESCCC1CCC(N(C)CC(C)(C)C(=O)OC)CC1
InChIInChI=1S/C15H29NO2/c1-6-12-7-9-13(10-8-12)16(4)11-15(2,3)14(17)18-5/h12-13H,6-11H2,1-5H3
InChIKeyWVZDDWWJVOKCEJ-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate (CID 79621216) is methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate is CCC1CCC(N(C)CC(C)(C)C(=O)OC)CC1.
What is the InChIKey of methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate?
The InChIKey is WVZDDWWJVOKCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-12-7-9-13(10-8-12)16(4)11-15(2,3)14(17)18-5/h12-13H,6-11H2,1-5H3.
What are the key properties of methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate?
methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate has a molecular weight of 255.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79621216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).