tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate

C10H19NO2 — CID 46914293

IUPACtert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate
SMILESCC(C)(C)/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-9(2,3)7-11-8(12)13-10(4,5)6/h7H,1-6H3/b11-7+
InChIKeyWYIUBYCXSFFXSO-YRNVUSSQSA-N
MW185.27 g/mol
LogP3.04
Rot. Bonds

About tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate

tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate (PubChem CID 46914293) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate.

Molecular Properties

Compound Nametert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate
PubChem CID46914293
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate
SMILESCC(C)(C)/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-9(2,3)7-11-8(12)13-10(4,5)6/h7H,1-6H3/b11-7+
InChIKeyWYIUBYCXSFFXSO-YRNVUSSQSA-N
XLogP3.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-butylidenecarbamate
CID 71492134
tert-butyl (NZ)-N-ethylidenecarbamate
CID 89976741
tert-butyl (NE)-N-propylidenecarbamate
CID 133677059
ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate
CID 134972749
tert-butyl (NE)-N-heptylidenecarbamate
CID 135071465
tert-butyl (NE)-N-hexylidenecarbamate
CID 139260869
5-Ethyl-5-methyl-oxazolin-2-one
CID 168356122

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate?
The IUPAC name of tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate (CID 46914293) is tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate.
What is the SMILES notation for tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate?
The canonical SMILES for tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate is CC(C)(C)/C=N/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate?
The InChIKey is WYIUBYCXSFFXSO-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)7-11-8(12)13-10(4,5)6/h7H,1-6H3/b11-7+.
What are the key properties of tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate?
tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate has a molecular weight of 185.27 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate is sourced from PubChem (CID 46914293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).