tert-butyl N-(4-aminooxycyclohexyl)carbamate

C11H22N2O3 — CID 22408668

IUPACtert-butyl N-(4-aminooxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(ON)CC1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)15-10(14)13-8-4-6-9(16-12)7-5-8/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyFXNIVYFRTYCHLO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.71
Rot. Bonds2

About tert-butyl N-(4-aminooxycyclohexyl)carbamate

tert-butyl N-(4-aminooxycyclohexyl)carbamate (PubChem CID 22408668) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-(4-aminooxycyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminooxycyclohexyl)carbamate
PubChem CID22408668
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-(4-aminooxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(ON)CC1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)15-10(14)13-8-4-6-9(16-12)7-5-8/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyFXNIVYFRTYCHLO-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate
CID 170737498
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminooxycyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(4-aminooxycyclohexyl)carbamate (CID 22408668) is tert-butyl N-(4-aminooxycyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-aminooxycyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(4-aminooxycyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCC(ON)CC1.
What is the InChIKey of tert-butyl N-(4-aminooxycyclohexyl)carbamate?
The InChIKey is FXNIVYFRTYCHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)15-10(14)13-8-4-6-9(16-12)7-5-8/h8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(4-aminooxycyclohexyl)carbamate?
tert-butyl N-(4-aminooxycyclohexyl)carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminooxycyclohexyl)carbamate is sourced from PubChem (CID 22408668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).