methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate

C13H25NO2 — CID 43725918

IUPACmethyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate
SMILESCCC1CCC(NC(C)(C)C(=O)OC)CC1
InChIInChI=1S/C13H25NO2/c1-5-10-6-8-11(9-7-10)14-13(2,3)12(15)16-4/h10-11,14H,5-9H2,1-4H3
InChIKeyIIIBZSJXSRYALJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds4

About methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate

methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate (PubChem CID 43725918) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate
PubChem CID43725918
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate
SMILESCCC1CCC(NC(C)(C)C(=O)OC)CC1
InChIInChI=1S/C13H25NO2/c1-5-10-6-8-11(9-7-10)14-13(2,3)12(15)16-4/h10-11,14H,5-9H2,1-4H3
InChIKeyIIIBZSJXSRYALJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate
CID 162510317
methyl 2-[(1,1-dioxothian-4-yl)amino]-2-methylpropanoate
CID 43726170
methyl 2-methyl-2-[(4-propan-2-ylcycloheptyl)amino]propanoate
CID 65086625
methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate
CID 65084105
methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate
CID 63956092
N-(4-ethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429662
methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate
CID 79621216
methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
CID 80706394
2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 79805944
N-(4-ethylcyclohexyl)-2-methoxypropanamide
CID 115588230
methyl 2-methyl-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
CID 103561404
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate (CID 43725918) is methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate is CCC1CCC(NC(C)(C)C(=O)OC)CC1.
What is the InChIKey of methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate?
The InChIKey is IIIBZSJXSRYALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-10-6-8-11(9-7-10)14-13(2,3)12(15)16-4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate?
methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate is sourced from PubChem (CID 43725918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).