ethyl N,3,5-trimethylhexanimidate

C11H23NO — CID 123533269

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

About ethyl N,3,5-trimethylhexanimidate

ethyl N,3,5-trimethylhexanimidate (PubChem CID 123533269) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethyl N,3,5-trimethylhexanimidate.

Molecular Properties

Compound Nameethyl N,3,5-trimethylhexanimidate
PubChem CID123533269
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethyl N,3,5-trimethylhexanimidate
SMILESCCO/C(CC(C)CC(C)C)=N\C
InChIInChI=1S/C11H23NO/c1-6-13-11(12-5)8-10(4)7-9(2)3/h9-10H,6-8H2,1-5H3/b12-11-
InChIKeyPDADQEBWFRLBSH-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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Related Compounds

CID 4220331
CID 4220331
CID 14875994
CID 14875994
CID 15453854
CID 15453854
CID 53662186
CID 53662186
CID 67920657
CID 67920657
CID 87567954
CID 87567954
CID 89351660
CID 89351660
CID 91465980
CID 91465980
CID 123887545
CID 123887545
CID 139990372
CID 139990372
CID 144112389
CID 144112389
CID 152204224
CID 152204224

Frequently Asked Questions

What is the IUPAC name of ethyl N,3,5-trimethylhexanimidate?
The IUPAC name of ethyl N,3,5-trimethylhexanimidate (CID 123533269) is ethyl N,3,5-trimethylhexanimidate.
What is the SMILES notation for ethyl N,3,5-trimethylhexanimidate?
The canonical SMILES for ethyl N,3,5-trimethylhexanimidate is CCO/C(CC(C)CC(C)C)=N\C.
What is the InChIKey of ethyl N,3,5-trimethylhexanimidate?
The InChIKey is PDADQEBWFRLBSH-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-13-11(12-5)8-10(4)7-9(2)3/h9-10H,6-8H2,1-5H3/b12-11-.
What are the key properties of ethyl N,3,5-trimethylhexanimidate?
ethyl N,3,5-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,3,5-trimethylhexanimidate is sourced from PubChem (CID 123533269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).