3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine

C11H16FN5 — CID 83034891

IUPAC3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine
SMILES[H]/N=C(\N=C(N)N)N(C)C(C)c1ccccc1F
InChIInChI=1S/C11H16FN5/c1-7(8-5-3-4-6-9(8)12)17(2)11(15)16-10(13)14/h3-7H,1-2H3,(H5,13,14,15,16)
InChIKeyULUKATHMYFXJSD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.03
Rot. Bonds2

About 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine

3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine (PubChem CID 83034891) has the molecular formula C11H16FN5 and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine
PubChem CID83034891
Molecular FormulaC11H16FN5
Molecular Weight237.28 g/mol
Exact Mass237.14
IUPAC Name3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine
SMILES[H]/N=C(\N=C(N)N)N(C)C(C)c1ccccc1F
InChIInChI=1S/C11H16FN5/c1-7(8-5-3-4-6-9(8)12)17(2)11(15)16-10(13)14/h3-7H,1-2H3,(H5,13,14,15,16)
InChIKeyULUKATHMYFXJSD-UHFFFAOYSA-N
XLogP1.03
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide
CID 63181963
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide
CID 62979001
3-amino-1-[1-(2-fluorophenyl)ethyl]-1-methyl-2-propan-2-ylguanidine
CID 116514969
6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64595166
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
CID 112725705
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930493
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide
CID 62984512
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62980702
2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine?
The IUPAC name of 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine (CID 83034891) is 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine is [H]/N=C(\N=C(N)N)N(C)C(C)c1ccccc1F.
What is the InChIKey of 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine?
The InChIKey is ULUKATHMYFXJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5/c1-7(8-5-3-4-6-9(8)12)17(2)11(15)16-10(13)14/h3-7H,1-2H3,(H5,13,14,15,16).
What are the key properties of 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine?
3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine has a molecular weight of 237.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-[1-(2-fluorophenyl)ethyl]-1-methylguanidine is sourced from PubChem (CID 83034891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).