ethyl N,2,5-trimethylhexanimidate

C11H23NO — CID 123887545

IUPACethyl N,2,5-trimethylhexanimidate
SMILESCCO/C(=N\C)C(C)CCC(C)C
InChIInChI=1S/C11H23NO/c1-6-13-11(12-5)10(4)8-7-9(2)3/h9-10H,6-8H2,1-5H3/b12-11-
InChIKeyYRDLAOOFTIWLAY-QXMHVHEDSA-N
MW185.31 g/mol
LogP3.12
Rot. Bonds5

About ethyl N,2,5-trimethylhexanimidate

ethyl N,2,5-trimethylhexanimidate (PubChem CID 123887545) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethyl N,2,5-trimethylhexanimidate.

Molecular Properties

Compound Nameethyl N,2,5-trimethylhexanimidate
PubChem CID123887545
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethyl N,2,5-trimethylhexanimidate
SMILESCCO/C(=N\C)C(C)CCC(C)C
InChIInChI=1S/C11H23NO/c1-6-13-11(12-5)10(4)8-7-9(2)3/h9-10H,6-8H2,1-5H3/b12-11-
InChIKeyYRDLAOOFTIWLAY-QXMHVHEDSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N,2,5-trimethylhexanimidate?
The IUPAC name of ethyl N,2,5-trimethylhexanimidate (CID 123887545) is ethyl N,2,5-trimethylhexanimidate.
What is the SMILES notation for ethyl N,2,5-trimethylhexanimidate?
The canonical SMILES for ethyl N,2,5-trimethylhexanimidate is CCO/C(=N\C)C(C)CCC(C)C.
What is the InChIKey of ethyl N,2,5-trimethylhexanimidate?
The InChIKey is YRDLAOOFTIWLAY-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-13-11(12-5)10(4)8-7-9(2)3/h9-10H,6-8H2,1-5H3/b12-11-.
What are the key properties of ethyl N,2,5-trimethylhexanimidate?
ethyl N,2,5-trimethylhexanimidate has a molecular weight of 185.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,2,5-trimethylhexanimidate is sourced from PubChem (CID 123887545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).