tert-butyl 2-(2-cyclohexylethylamino)acetate

C14H27NO2 — CID 60920745

IUPACtert-butyl 2-(2-cyclohexylethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)17-13(16)11-15-10-9-12-7-5-4-6-8-12/h12,15H,4-11H2,1-3H3
InChIKeyUVOFDUGQQGGVRI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds5

About tert-butyl 2-(2-cyclohexylethylamino)acetate

tert-butyl 2-(2-cyclohexylethylamino)acetate (PubChem CID 60920745) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclohexylethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclohexylethylamino)acetate
PubChem CID60920745
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2-(2-cyclohexylethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)17-13(16)11-15-10-9-12-7-5-4-6-8-12/h12,15H,4-11H2,1-3H3
InChIKeyUVOFDUGQQGGVRI-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
tert-butyl 2-(2-cyclopentyloxyethylamino)acetate
CID 63826969
butyl 2-(2-cyclohexylethylamino)acetate
CID 54932803
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559
tert-butyl 2-(cyclopentyloxyamino)acetate
CID 83228289
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
2-(2-cyclopentylethylamino)-N-methylacetamide
CID 60919375
tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate
CID 103949974
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764
tert-butyl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62977597
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclohexylethylamino)acetate?
The IUPAC name of tert-butyl 2-(2-cyclohexylethylamino)acetate (CID 60920745) is tert-butyl 2-(2-cyclohexylethylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-cyclohexylethylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-cyclohexylethylamino)acetate is CC(C)(C)OC(=O)CNCCC1CCCCC1.
What is the InChIKey of tert-butyl 2-(2-cyclohexylethylamino)acetate?
The InChIKey is UVOFDUGQQGGVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)17-13(16)11-15-10-9-12-7-5-4-6-8-12/h12,15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2-(2-cyclohexylethylamino)acetate?
tert-butyl 2-(2-cyclohexylethylamino)acetate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclohexylethylamino)acetate is sourced from PubChem (CID 60920745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).