tert-butyl N-cyclohexylidenecarbamate

C11H19NO2 — CID 130270349

IUPACtert-butyl N-cyclohexylidenecarbamate
SMILESCC(C)(C)OC(=O)N=C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H2,1-3H3
InChIKeyVUXCQRZQLVTPMJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.33
Rot. Bonds

About tert-butyl N-cyclohexylidenecarbamate

tert-butyl N-cyclohexylidenecarbamate (PubChem CID 130270349) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl N-cyclohexylidenecarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexylidenecarbamate
PubChem CID130270349
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl N-cyclohexylidenecarbamate
SMILESCC(C)(C)OC(=O)N=C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H2,1-3H3
InChIKeyVUXCQRZQLVTPMJ-UHFFFAOYSA-N
XLogP3.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexylidenecarbamate?
The IUPAC name of tert-butyl N-cyclohexylidenecarbamate (CID 130270349) is tert-butyl N-cyclohexylidenecarbamate.
What is the SMILES notation for tert-butyl N-cyclohexylidenecarbamate?
The canonical SMILES for tert-butyl N-cyclohexylidenecarbamate is CC(C)(C)OC(=O)N=C1CCCCC1.
What is the InChIKey of tert-butyl N-cyclohexylidenecarbamate?
The InChIKey is VUXCQRZQLVTPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H2,1-3H3.
What are the key properties of tert-butyl N-cyclohexylidenecarbamate?
tert-butyl N-cyclohexylidenecarbamate has a molecular weight of 197.28 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexylidenecarbamate is sourced from PubChem (CID 130270349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).