N,N'-bis(2-ethoxyethyl)decanimidamide

C18H38N2O2 — CID 88679605

IUPACN,N'-bis(2-ethoxyethyl)decanimidamide
SMILESCCCCCCCCC/C(=N\CCOCC)NCCOCC
InChIInChI=1S/C18H38N2O2/c1-4-7-8-9-10-11-12-13-18(19-14-16-21-5-2)20-15-17-22-6-3/h4-17H2,1-3H3,(H,19,20)
InChIKeyZIRVKJFMHJLNAG-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.19
Rot. Bonds16

About N,N'-bis(2-ethoxyethyl)decanimidamide

N,N'-bis(2-ethoxyethyl)decanimidamide (PubChem CID 88679605) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is N,N'-bis(2-ethoxyethyl)decanimidamide.

Molecular Properties

Compound NameN,N'-bis(2-ethoxyethyl)decanimidamide
PubChem CID88679605
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC NameN,N'-bis(2-ethoxyethyl)decanimidamide
SMILESCCCCCCCCC/C(=N\CCOCC)NCCOCC
InChIInChI=1S/C18H38N2O2/c1-4-7-8-9-10-11-12-13-18(19-14-16-21-5-2)20-15-17-22-6-3/h4-17H2,1-3H3,(H,19,20)
InChIKeyZIRVKJFMHJLNAG-UHFFFAOYSA-N
XLogP4.19
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-ethoxyethyl)hexanimidamide
CID 88678254
1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide
CID 111045515
N,N'-dipentylpentanimidamide
CID 88678498
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
1-(2-ethoxyethyl)-3-hexyl-2-methylguanidine
CID 111161505
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
methyl 5-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111895746
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233
2-[7-(dimethylamino)heptyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111895753
1-(4-ethoxybutyl)-2-hexylguanidine
CID 111059587
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 111895626

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-ethoxyethyl)decanimidamide?
The IUPAC name of N,N'-bis(2-ethoxyethyl)decanimidamide (CID 88679605) is N,N'-bis(2-ethoxyethyl)decanimidamide.
What is the SMILES notation for N,N'-bis(2-ethoxyethyl)decanimidamide?
The canonical SMILES for N,N'-bis(2-ethoxyethyl)decanimidamide is CCCCCCCCC/C(=N\CCOCC)NCCOCC.
What is the InChIKey of N,N'-bis(2-ethoxyethyl)decanimidamide?
The InChIKey is ZIRVKJFMHJLNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-4-7-8-9-10-11-12-13-18(19-14-16-21-5-2)20-15-17-22-6-3/h4-17H2,1-3H3,(H,19,20).
What are the key properties of N,N'-bis(2-ethoxyethyl)decanimidamide?
N,N'-bis(2-ethoxyethyl)decanimidamide has a molecular weight of 314.51 g/mol, XLogP of 4.19, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-ethoxyethyl)decanimidamide is sourced from PubChem (CID 88679605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).