tert-butyl N-hexan-2-ylidenecarbamate

C11H21NO2 — CID 123825053

IUPACtert-butyl N-hexan-2-ylidenecarbamate
SMILESCCCCC(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-8-9(2)12-10(13)14-11(3,4)5/h6-8H2,1-5H3
InChIKeyXVVKPBHKPQTRGJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.57
Rot. Bonds3

About tert-butyl N-hexan-2-ylidenecarbamate

tert-butyl N-hexan-2-ylidenecarbamate (PubChem CID 123825053) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-hexan-2-ylidenecarbamate.

Molecular Properties

Compound Nametert-butyl N-hexan-2-ylidenecarbamate
PubChem CID123825053
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-hexan-2-ylidenecarbamate
SMILESCCCCC(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-8-9(2)12-10(13)14-11(3,4)5/h6-8H2,1-5H3
InChIKeyXVVKPBHKPQTRGJ-UHFFFAOYSA-N
XLogP3.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.57
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-hexan-2-ylidenecarbamate?
The IUPAC name of tert-butyl N-hexan-2-ylidenecarbamate (CID 123825053) is tert-butyl N-hexan-2-ylidenecarbamate.
What is the SMILES notation for tert-butyl N-hexan-2-ylidenecarbamate?
The canonical SMILES for tert-butyl N-hexan-2-ylidenecarbamate is CCCCC(C)=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hexan-2-ylidenecarbamate?
The InChIKey is XVVKPBHKPQTRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-8-9(2)12-10(13)14-11(3,4)5/h6-8H2,1-5H3.
What are the key properties of tert-butyl N-hexan-2-ylidenecarbamate?
tert-butyl N-hexan-2-ylidenecarbamate has a molecular weight of 199.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hexan-2-ylidenecarbamate is sourced from PubChem (CID 123825053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).