tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate

C13H25NO3 — CID 166945820

IUPACtert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C)CCC(O)CC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(16)14(5)13(4)8-6-10(15)7-9-13/h10,15H,6-9H2,1-5H3
InChIKeyNKPOSAUTOZTPOO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.55
Rot. Bonds1

About tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate

tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate (PubChem CID 166945820) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate
PubChem CID166945820
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C)CCC(O)CC1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(16)14(5)13(4)8-6-10(15)7-9-13/h10,15H,6-9H2,1-5H3
InChIKeyNKPOSAUTOZTPOO-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate (CID 166945820) is tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1(C)CCC(O)CC1.
What is the InChIKey of tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate?
The InChIKey is NKPOSAUTOZTPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)17-11(16)14(5)13(4)8-6-10(15)7-9-13/h10,15H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate?
tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate has a molecular weight of 243.35 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxy-1-methylcyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 166945820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).