tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate

C13H26N2O2 — CID 57465844

IUPACtert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyUEPKQJUEOITEHN-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate

tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate (PubChem CID 57465844) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate
PubChem CID57465844
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyUEPKQJUEOITEHN-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl] methanesulfonate
CID 59414569
tert-butyl N-[1-(3-oxocyclopentyl)ethyl]carbamate
CID 178200958
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate
CID 142180276
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate
CID 166470828
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
(2S,3S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 130332365
tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate
CID 118990032
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
[(2-methylpropan-2-yl)oxycarbonylamino] 1-cyclopropylethanesulfonate
CID 175077291
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate (CID 57465844) is tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)C1CCC(N)CC1.
What is the InChIKey of tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate?
The InChIKey is UEPKQJUEOITEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate?
tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate is sourced from PubChem (CID 57465844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).