ethyl N-(4-bromobutoxy)ethanimidate

C8H16BrNO2 — CID 54060616

IUPACethyl N-(4-bromobutoxy)ethanimidate
SMILESCCOC(C)=NOCCCCBr
InChIInChI=1S/C8H16BrNO2/c1-3-11-8(2)10-12-7-5-4-6-9/h3-7H2,1-2H3
InChIKeyLZKXAQLZRBDGJZ-UHFFFAOYSA-N
MW238.12 g/mol
LogP2.55
Rot. Bonds6

About ethyl N-(4-bromobutoxy)ethanimidate

ethyl N-(4-bromobutoxy)ethanimidate (PubChem CID 54060616) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is ethyl N-(4-bromobutoxy)ethanimidate.

Molecular Properties

Compound Nameethyl N-(4-bromobutoxy)ethanimidate
PubChem CID54060616
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Nameethyl N-(4-bromobutoxy)ethanimidate
SMILESCCOC(C)=NOCCCCBr
InChIInChI=1S/C8H16BrNO2/c1-3-11-8(2)10-12-7-5-4-6-9/h3-7H2,1-2H3
InChIKeyLZKXAQLZRBDGJZ-UHFFFAOYSA-N
XLogP2.55
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (1E)-N-(3-bromopropoxy)ethanimidate
CID 18008115
ethyl N-(10-hydroxydecoxy)ethanimidate
CID 71419610
ethyl N-(3-chloropropoxy)ethanimidate
CID 71339989
6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid
CID 118175045
ethyl N-(3-oxopropoxy)ethanimidate
CID 71374207
(2,5-dihydroxypyrrol-1-yl) 6-(1-ethoxyethylideneamino)oxyhexanoate
CID 91392417
methyl 3-(1-ethoxyethylideneamino)oxypropanoate
CID 71331645
ethyl (1E)-ethanehydrazonate
CID 57432796
(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine
CID 163402876
O-(4-bromobutyl) ethanethioate
CID 141465148
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 131862809

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-bromobutoxy)ethanimidate?
The IUPAC name of ethyl N-(4-bromobutoxy)ethanimidate (CID 54060616) is ethyl N-(4-bromobutoxy)ethanimidate.
What is the SMILES notation for ethyl N-(4-bromobutoxy)ethanimidate?
The canonical SMILES for ethyl N-(4-bromobutoxy)ethanimidate is CCOC(C)=NOCCCCBr.
What is the InChIKey of ethyl N-(4-bromobutoxy)ethanimidate?
The InChIKey is LZKXAQLZRBDGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2/c1-3-11-8(2)10-12-7-5-4-6-9/h3-7H2,1-2H3.
What are the key properties of ethyl N-(4-bromobutoxy)ethanimidate?
ethyl N-(4-bromobutoxy)ethanimidate has a molecular weight of 238.12 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-bromobutoxy)ethanimidate is sourced from PubChem (CID 54060616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).