2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine

C8H19FN4 — CID 174028362

IUPAC2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine
SMILESCNC(C)[C@H](C)N/C(N)=N/CCF
InChIInChI=1S/C8H19FN4/c1-6(11-3)7(2)13-8(10)12-5-4-9/h6-7,11H,4-5H2,1-3H3,(H3,10,12,13)/t6?,7-/m0/s1
InChIKeyPMUGJOOGZQKRLO-MLWJPKLSSA-N
MW190.27 g/mol
LogP-0.14
Rot. Bonds5

About 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine

2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine (PubChem CID 174028362) has the molecular formula C8H19FN4 and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine.

Molecular Properties

Compound Name2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine
PubChem CID174028362
Molecular FormulaC8H19FN4
Molecular Weight190.27 g/mol
Exact Mass190.16
IUPAC Name2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine
SMILESCNC(C)[C@H](C)N/C(N)=N/CCF
InChIInChI=1S/C8H19FN4/c1-6(11-3)7(2)13-8(10)12-5-4-9/h6-7,11H,4-5H2,1-3H3,(H3,10,12,13)/t6?,7-/m0/s1
InChIKeyPMUGJOOGZQKRLO-MLWJPKLSSA-N
XLogP-0.14
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
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 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine?
The IUPAC name of 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine (CID 174028362) is 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine.
What is the SMILES notation for 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine?
The canonical SMILES for 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine is CNC(C)[C@H](C)N/C(N)=N/CCF.
What is the InChIKey of 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine?
The InChIKey is PMUGJOOGZQKRLO-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H19FN4/c1-6(11-3)7(2)13-8(10)12-5-4-9/h6-7,11H,4-5H2,1-3H3,(H3,10,12,13)/t6?,7-/m0/s1.
What are the key properties of 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine?
2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine has a molecular weight of 190.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine is sourced from PubChem (CID 174028362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).