N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride

C8H16FN3 — CID 154927288

IUPACN-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride
SMILESC=CNC(C)N(C)/C(F)=N/CC
InChIInChI=1S/C8H16FN3/c1-5-10-7(3)12(4)8(9)11-6-2/h5,7,10H,1,6H2,2-4H3/b11-8+
InChIKeyISFDJUNJBLZIHW-DHZHZOJOSA-N
MW173.23 g/mol
LogP1.34
Rot. Bonds4

About N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride

N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride (PubChem CID 154927288) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride.

Molecular Properties

Compound NameN-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride
PubChem CID154927288
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC NameN-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride
SMILESC=CNC(C)N(C)/C(F)=N/CC
InChIInChI=1S/C8H16FN3/c1-5-10-7(3)12(4)8(9)11-6-2/h5,7,10H,1,6H2,2-4H3/b11-8+
InChIKeyISFDJUNJBLZIHW-DHZHZOJOSA-N
XLogP1.34
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride?
The IUPAC name of N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride (CID 154927288) is N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride.
What is the SMILES notation for N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride?
The canonical SMILES for N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride is C=CNC(C)N(C)/C(F)=N/CC.
What is the InChIKey of N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride?
The InChIKey is ISFDJUNJBLZIHW-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H16FN3/c1-5-10-7(3)12(4)8(9)11-6-2/h5,7,10H,1,6H2,2-4H3/b11-8+.
What are the key properties of N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride?
N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride has a molecular weight of 173.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethenylamino)ethyl]-N'-ethyl-N-methylcarbamimidoyl fluoride is sourced from PubChem (CID 154927288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).