1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine

C8H17FN4 — CID 130505162

IUPAC1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine
SMILESNN/C(=N\CCF)NC1CCCC1
InChIInChI=1S/C8H17FN4/c9-5-6-11-8(13-10)12-7-3-1-2-4-7/h7H,1-6,10H2,(H2,11,12,13)
InChIKeyWRPPMIYCOLHZFE-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.31
Rot. Bonds3

About 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine

1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine (PubChem CID 130505162) has the molecular formula C8H17FN4 and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine
PubChem CID130505162
Molecular FormulaC8H17FN4
Molecular Weight188.25 g/mol
Exact Mass188.14
IUPAC Name1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine
SMILESNN/C(=N\CCF)NC1CCCC1
InChIInChI=1S/C8H17FN4/c9-5-6-11-8(13-10)12-7-3-1-2-4-7/h7H,1-6,10H2,(H2,11,12,13)
InChIKeyWRPPMIYCOLHZFE-UHFFFAOYSA-N
XLogP0.31
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
1-Amino-3-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883045
1-Amino-3-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885805
1-Amino-3-cyclohexyl-2-(2,2-difluoroethyl)guanidine
CID 104887788
1-Amino-3-cyclopentyl-2-(2,2-difluoroethyl)guanidine
CID 104887790
1-Amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888053
1-Amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888054
1-Amino-3-butyl-2-(5,5,5-trifluoropentyl)guanidine
CID 104888070
1-Amino-2-propyl-3-(5,5,5-trifluoropentyl)guanidine
CID 104888073
1-Amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine
CID 104888074
1-Amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine
CID 104888076
1-Amino-3-propan-2-yl-2-(5,5,5-trifluoropentyl)guanidine
CID 104888077

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine (CID 130505162) is 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine is NN/C(=N\CCF)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine?
The InChIKey is WRPPMIYCOLHZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN4/c9-5-6-11-8(13-10)12-7-3-1-2-4-7/h7H,1-6,10H2,(H2,11,12,13).
What are the key properties of 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine?
1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine has a molecular weight of 188.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine is sourced from PubChem (CID 130505162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).