3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine

C8H18FN5 — CID 18769853

IUPAC3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine
SMILES[H]/N=C(/N=C(N)N)N(CC)CCCCF
InChIInChI=1S/C8H18FN5/c1-2-14(6-4-3-5-9)8(12)13-7(10)11/h2-6H2,1H3,(H5,10,11,12,13)
InChIKeyGUFAXXBJBBIEJI-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.27
Rot. Bonds5

About 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine

3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine (PubChem CID 18769853) has the molecular formula C8H18FN5 and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine
PubChem CID18769853
Molecular FormulaC8H18FN5
Molecular Weight203.26 g/mol
Exact Mass203.15
IUPAC Name3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine
SMILES[H]/N=C(/N=C(N)N)N(CC)CCCCF
InChIInChI=1S/C8H18FN5/c1-2-14(6-4-3-5-9)8(12)13-7(10)11/h2-6H2,1H3,(H5,10,11,12,13)
InChIKeyGUFAXXBJBBIEJI-UHFFFAOYSA-N
XLogP0.27
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine (CID 18769853) is 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine is [H]/N=C(/N=C(N)N)N(CC)CCCCF.
What is the InChIKey of 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine?
The InChIKey is GUFAXXBJBBIEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN5/c1-2-14(6-4-3-5-9)8(12)13-7(10)11/h2-6H2,1H3,(H5,10,11,12,13).
What are the key properties of 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine?
3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine has a molecular weight of 203.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine is sourced from PubChem (CID 18769853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).