1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine

C8H16FN5 — CID 155782437

IUPAC1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine
SMILESCN(C)CC/N=C(\NC#N)NCCF
InChIInChI=1S/C8H16FN5/c1-14(2)6-5-12-8(13-7-10)11-4-3-9/h3-6H2,1-2H3,(H2,11,12,13)
InChIKeyUQXUHDUKBATZQP-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.47
Rot. Bonds5

About 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine

1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine (PubChem CID 155782437) has the molecular formula C8H16FN5 and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine
PubChem CID155782437
Molecular FormulaC8H16FN5
Molecular Weight201.25 g/mol
Exact Mass201.14
IUPAC Name1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine
SMILESCN(C)CC/N=C(\NC#N)NCCF
InChIInChI=1S/C8H16FN5/c1-14(2)6-5-12-8(13-7-10)11-4-3-9/h3-6H2,1-2H3,(H2,11,12,13)
InChIKeyUQXUHDUKBATZQP-UHFFFAOYSA-N
XLogP-0.47
TPSA63.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine?
The IUPAC name of 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine (CID 155782437) is 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine.
What is the SMILES notation for 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine?
The canonical SMILES for 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine is CN(C)CC/N=C(\NC#N)NCCF.
What is the InChIKey of 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine?
The InChIKey is UQXUHDUKBATZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN5/c1-14(2)6-5-12-8(13-7-10)11-4-3-9/h3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine?
1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine has a molecular weight of 201.25 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine is sourced from PubChem (CID 155782437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).