ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate

C11H22N2O2 — CID 79121417

IUPACethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)8-13(2)10-6-4-9(12)5-7-10/h9-10H,3-8,12H2,1-2H3
InChIKeySELFCLLEXVJDQC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds4

About ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate

ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate (PubChem CID 79121417) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
PubChem CID79121417
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)8-13(2)10-6-4-9(12)5-7-10/h9-10H,3-8,12H2,1-2H3
InChIKeySELFCLLEXVJDQC-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
ethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 79121309
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
CID 54940545
ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
CID 121438943
4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine
CID 79120943
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 79120936
ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
CID 79116311
ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate
CID 55147699
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016
ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate
CID 82842680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate (CID 79121417) is ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate is CCOC(=O)CN(C)C1CCC(N)CC1.
What is the InChIKey of ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate?
The InChIKey is SELFCLLEXVJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)8-13(2)10-6-4-9(12)5-7-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate?
ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate has a molecular weight of 214.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate is sourced from PubChem (CID 79121417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).