tert-butyl N-(4-arsanylcyclohexyl)carbamate

C11H22AsNO2 — CID 173124516

IUPACtert-butyl N-(4-arsanylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC([AsH2])CC1
InChIInChI=1S/C11H22AsNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyRIXODPSOMHOFMW-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.88
Rot. Bonds1

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

tert-butyl N-(4-arsanylcyclohexyl)carbamate (PubChem CID 173124516) has the molecular formula C11H22AsNO2 and a molecular weight of 275.22 g/mol. Its IUPAC name is tert-butyl N-(4-arsanylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-arsanylcyclohexyl)carbamate
PubChem CID173124516
Molecular FormulaC11H22AsNO2
Molecular Weight275.22 g/mol
Exact Mass275.09
IUPAC Nametert-butyl N-(4-arsanylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC([AsH2])CC1
InChIInChI=1S/C11H22AsNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyRIXODPSOMHOFMW-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
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tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate
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tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
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tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
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tert-butyl N-piperidin-1-ium-4-ylcarbamate
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tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
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tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
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tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
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tert-butyl N-(4-aminocyclooctyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-arsanylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(4-arsanylcyclohexyl)carbamate (CID 173124516) is tert-butyl N-(4-arsanylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-arsanylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(4-arsanylcyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCC([AsH2])CC1.
What is the InChIKey of tert-butyl N-(4-arsanylcyclohexyl)carbamate?
The InChIKey is RIXODPSOMHOFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22AsNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(4-arsanylcyclohexyl)carbamate?
tert-butyl N-(4-arsanylcyclohexyl)carbamate has a molecular weight of 275.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-arsanylcyclohexyl)carbamate is sourced from PubChem (CID 173124516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).