tert-butyl (NE)-N-pentylidenecarbamate

C10H19NO2 — CID 15976817

IUPACtert-butyl (NE)-N-pentylidenecarbamate
SMILESCCCC/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/b11-8+
InChIKeyIEUWCZUPJCKMMV-DHZHZOJOSA-N
MW185.27 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl (NE)-N-pentylidenecarbamate

tert-butyl (NE)-N-pentylidenecarbamate (PubChem CID 15976817) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl (NE)-N-pentylidenecarbamate.

Molecular Properties

Compound Nametert-butyl (NE)-N-pentylidenecarbamate
PubChem CID15976817
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl (NE)-N-pentylidenecarbamate
SMILESCCCC/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/b11-8+
InChIKeyIEUWCZUPJCKMMV-DHZHZOJOSA-N
XLogP3.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.18
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-(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
t-butyl N-(ethoxyethylidene)carbamate
CID 129653030
t-butyl N-(propoxy-ethylidene)carbamate
CID 129653157
tert-butyl (NE)-N-propylidenecarbamate
CID 133677059
tert-butyl (NE)-N-heptylidenecarbamate
CID 135071465
tert-butyl (NE)-N-hexylidenecarbamate
CID 139260869

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NE)-N-pentylidenecarbamate?
The IUPAC name of tert-butyl (NE)-N-pentylidenecarbamate (CID 15976817) is tert-butyl (NE)-N-pentylidenecarbamate.
What is the SMILES notation for tert-butyl (NE)-N-pentylidenecarbamate?
The canonical SMILES for tert-butyl (NE)-N-pentylidenecarbamate is CCCC/C=N/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (NE)-N-pentylidenecarbamate?
The InChIKey is IEUWCZUPJCKMMV-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/b11-8+.
What are the key properties of tert-butyl (NE)-N-pentylidenecarbamate?
tert-butyl (NE)-N-pentylidenecarbamate has a molecular weight of 185.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NE)-N-pentylidenecarbamate is sourced from PubChem (CID 15976817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).