tert-butyl 3-(1-cyclohexylethylamino)propanoate

C15H29NO2 — CID 103729841

IUPACtert-butyl 3-(1-cyclohexylethylamino)propanoate
SMILESCC(NCCC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-12(13-8-6-5-7-9-13)16-11-10-14(17)18-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyUGNMFWVBHLAIEB-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds5

About tert-butyl 3-(1-cyclohexylethylamino)propanoate

tert-butyl 3-(1-cyclohexylethylamino)propanoate (PubChem CID 103729841) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl 3-(1-cyclohexylethylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(1-cyclohexylethylamino)propanoate
PubChem CID103729841
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl 3-(1-cyclohexylethylamino)propanoate
SMILESCC(NCCC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-12(13-8-6-5-7-9-13)16-11-10-14(17)18-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyUGNMFWVBHLAIEB-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
CID 103785966
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
CID 107257467
methyl 4-(1-cyclopentylethylamino)butanoate
CID 62632824
3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide
CID 81392911
tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249105
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-cyclohexylethylamino)propanoate?
The IUPAC name of tert-butyl 3-(1-cyclohexylethylamino)propanoate (CID 103729841) is tert-butyl 3-(1-cyclohexylethylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(1-cyclohexylethylamino)propanoate?
The canonical SMILES for tert-butyl 3-(1-cyclohexylethylamino)propanoate is CC(NCCC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl 3-(1-cyclohexylethylamino)propanoate?
The InChIKey is UGNMFWVBHLAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(13-8-6-5-7-9-13)16-11-10-14(17)18-15(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-(1-cyclohexylethylamino)propanoate?
tert-butyl 3-(1-cyclohexylethylamino)propanoate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-cyclohexylethylamino)propanoate is sourced from PubChem (CID 103729841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).