ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate

C14H27NO2 — CID 60811994

IUPACethyl 2-[(4-tert-butylcyclohexyl)amino]acetate
SMILESCCOC(=O)CNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-17-13(16)10-15-12-8-6-11(7-9-12)14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyHABNSEUAJWYCQL-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds4

About ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate

ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate (PubChem CID 60811994) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-tert-butylcyclohexyl)amino]acetate
PubChem CID60811994
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 2-[(4-tert-butylcyclohexyl)amino]acetate
SMILESCCOC(=O)CNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-17-13(16)10-15-12-8-6-11(7-9-12)14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyHABNSEUAJWYCQL-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate (CID 60811994) is ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate is CCOC(=O)CNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate?
The InChIKey is HABNSEUAJWYCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-17-13(16)10-15-12-8-6-11(7-9-12)14(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate?
ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate is sourced from PubChem (CID 60811994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).