N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide

C8H16N4 — CID 118972968

IUPACN-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide
SMILESC=C(N/C=N/C=N/C)N(C)CC
InChIInChI=1S/C8H16N4/c1-5-12(4)8(2)11-7-10-6-9-3/h6-7H,2,5H2,1,3-4H3,(H,9,10,11)
InChIKeyCUBMCVAHNYFDCX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.69
Rot. Bonds5

About N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide

N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide (PubChem CID 118972968) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide.

Molecular Properties

Compound NameN-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide
PubChem CID118972968
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide
SMILESC=C(N/C=N/C=N/C)N(C)CC
InChIInChI=1S/C8H16N4/c1-5-12(4)8(2)11-7-10-6-9-3/h6-7H,2,5H2,1,3-4H3,(H,9,10,11)
InChIKeyCUBMCVAHNYFDCX-UHFFFAOYSA-N
XLogP0.69
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
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 N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide?
The IUPAC name of N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide (CID 118972968) is N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide.
What is the SMILES notation for N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide?
The canonical SMILES for N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide is C=C(N/C=N/C=N/C)N(C)CC.
What is the InChIKey of N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide?
The InChIKey is CUBMCVAHNYFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-5-12(4)8(2)11-7-10-6-9-3/h6-7H,2,5H2,1,3-4H3,(H,9,10,11).
What are the key properties of N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide?
N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide has a molecular weight of 168.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide is sourced from PubChem (CID 118972968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).