ethyl N-butyl-N-[(E)-ethylideneamino]carbamate

C9H18N2O2 — CID 130340573

IUPACethyl N-butyl-N-[(E)-ethylideneamino]carbamate
SMILESC/C=N/N(CCCC)C(=O)OCC
InChIInChI=1S/C9H18N2O2/c1-4-7-8-11(10-5-2)9(12)13-6-3/h5H,4,6-8H2,1-3H3/b10-5+
InChIKeyJESOPGZGXPXHNK-BJMVGYQFSA-N
MW186.25 g/mol
LogP2.25
Rot. Bonds5

About ethyl N-butyl-N-[(E)-ethylideneamino]carbamate

ethyl N-butyl-N-[(E)-ethylideneamino]carbamate (PubChem CID 130340573) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl N-butyl-N-[(E)-ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-butyl-N-[(E)-ethylideneamino]carbamate
PubChem CID130340573
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl N-butyl-N-[(E)-ethylideneamino]carbamate
SMILESC/C=N/N(CCCC)C(=O)OCC
InChIInChI=1S/C9H18N2O2/c1-4-7-8-11(10-5-2)9(12)13-6-3/h5H,4,6-8H2,1-3H3/b10-5+
InChIKeyJESOPGZGXPXHNK-BJMVGYQFSA-N
XLogP2.25
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-butyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 134102406
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate
CID 89281494
ethyl N-methyl-N-octylcarbamate
CID 15790108
ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate
CID 57098744
ethyl hexanoate;rhodium
CID 87383837
ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate
CID 143786345
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486

Frequently Asked Questions

What is the IUPAC name of ethyl N-butyl-N-[(E)-ethylideneamino]carbamate?
The IUPAC name of ethyl N-butyl-N-[(E)-ethylideneamino]carbamate (CID 130340573) is ethyl N-butyl-N-[(E)-ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-butyl-N-[(E)-ethylideneamino]carbamate?
The canonical SMILES for ethyl N-butyl-N-[(E)-ethylideneamino]carbamate is C/C=N/N(CCCC)C(=O)OCC.
What is the InChIKey of ethyl N-butyl-N-[(E)-ethylideneamino]carbamate?
The InChIKey is JESOPGZGXPXHNK-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-7-8-11(10-5-2)9(12)13-6-3/h5H,4,6-8H2,1-3H3/b10-5+.
What are the key properties of ethyl N-butyl-N-[(E)-ethylideneamino]carbamate?
ethyl N-butyl-N-[(E)-ethylideneamino]carbamate has a molecular weight of 186.25 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butyl-N-[(E)-ethylideneamino]carbamate is sourced from PubChem (CID 130340573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).