tert-butyl (NE)-N-hexylidenecarbamate

C11H21NO2 — CID 139260869

IUPACtert-butyl (NE)-N-hexylidenecarbamate
SMILESCCCCC/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h9H,5-8H2,1-4H3/b12-9+
InChIKeyOWHKQGRGFLQLNF-FMIVXFBMSA-N
MW199.29 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl (NE)-N-hexylidenecarbamate

tert-butyl (NE)-N-hexylidenecarbamate (PubChem CID 139260869) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl (NE)-N-hexylidenecarbamate.

Molecular Properties

Compound Nametert-butyl (NE)-N-hexylidenecarbamate
PubChem CID139260869
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl (NE)-N-hexylidenecarbamate
SMILESCCCCC/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h9H,5-8H2,1-4H3/b12-9+
InChIKeyOWHKQGRGFLQLNF-FMIVXFBMSA-N
XLogP3.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (NE)-N-(2-methylpropylidene)carbamate
CID 89527756
tert-butyl (NZ)-N-(3-methylbutylidene)carbamate
CID 164674884
tert-butyl (NZ)-N-pentylidenecarbamate
CID 11644043
tert-butyl (NE)-N-pentylidenecarbamate
CID 15976817
tert-butyl (NE)-N-(3-methylbutylidene)carbamate
CID 24827694
tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate
CID 46914293
tert-butyl (NE)-N-butylidenecarbamate
CID 71492134
tert-butyl (NZ)-N-ethylidenecarbamate
CID 89976741
tert-butyl (NE)-N-(cyclopentylmethylidene)carbamate
CID 133614232
tert-butyl (NE)-N-propylidenecarbamate
CID 133677059
tert-butyl (NE)-N-heptylidenecarbamate
CID 135071465
tert-butyl (NZ)-N-(2-methylpropylidene)carbamate
CID 45092375

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NE)-N-hexylidenecarbamate?
The IUPAC name of tert-butyl (NE)-N-hexylidenecarbamate (CID 139260869) is tert-butyl (NE)-N-hexylidenecarbamate.
What is the SMILES notation for tert-butyl (NE)-N-hexylidenecarbamate?
The canonical SMILES for tert-butyl (NE)-N-hexylidenecarbamate is CCCCC/C=N/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (NE)-N-hexylidenecarbamate?
The InChIKey is OWHKQGRGFLQLNF-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h9H,5-8H2,1-4H3/b12-9+.
What are the key properties of tert-butyl (NE)-N-hexylidenecarbamate?
tert-butyl (NE)-N-hexylidenecarbamate has a molecular weight of 199.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NE)-N-hexylidenecarbamate is sourced from PubChem (CID 139260869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).