N-(4,6-dimethyloctyl)-N-ethenylformamide

C13H25NO — CID 155348936

IUPACN-(4,6-dimethyloctyl)-N-ethenylformamide
SMILESC=CN(C=O)CCCC(C)CC(C)CC
InChIInChI=1S/C13H25NO/c1-5-12(3)10-13(4)8-7-9-14(6-2)11-15/h6,11-13H,2,5,7-10H2,1,3-4H3
InChIKeyMCISCFXMKKQXSY-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.44
Rot. Bonds9

About N-(4,6-dimethyloctyl)-N-ethenylformamide

N-(4,6-dimethyloctyl)-N-ethenylformamide (PubChem CID 155348936) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(4,6-dimethyloctyl)-N-ethenylformamide.

Molecular Properties

Compound NameN-(4,6-dimethyloctyl)-N-ethenylformamide
PubChem CID155348936
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(4,6-dimethyloctyl)-N-ethenylformamide
SMILESC=CN(C=O)CCCC(C)CC(C)CC
InChIInChI=1S/C13H25NO/c1-5-12(3)10-13(4)8-7-9-14(6-2)11-15/h6,11-13H,2,5,7-10H2,1,3-4H3
InChIKeyMCISCFXMKKQXSY-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyloctyl)-N-ethenylformamide?
The IUPAC name of N-(4,6-dimethyloctyl)-N-ethenylformamide (CID 155348936) is N-(4,6-dimethyloctyl)-N-ethenylformamide.
What is the SMILES notation for N-(4,6-dimethyloctyl)-N-ethenylformamide?
The canonical SMILES for N-(4,6-dimethyloctyl)-N-ethenylformamide is C=CN(C=O)CCCC(C)CC(C)CC.
What is the InChIKey of N-(4,6-dimethyloctyl)-N-ethenylformamide?
The InChIKey is MCISCFXMKKQXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-12(3)10-13(4)8-7-9-14(6-2)11-15/h6,11-13H,2,5,7-10H2,1,3-4H3.
What are the key properties of N-(4,6-dimethyloctyl)-N-ethenylformamide?
N-(4,6-dimethyloctyl)-N-ethenylformamide has a molecular weight of 211.35 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyloctyl)-N-ethenylformamide is sourced from PubChem (CID 155348936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).