1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine

C11H21F3N4 — CID 104888076

IUPAC1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine
SMILESNN/C(=N\CCCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C11H21F3N4/c12-11(13,14)7-3-4-8-16-10(18-15)17-9-5-1-2-6-9/h9H,1-8,15H2,(H2,16,17,18)
InChIKeyXAOPFGXBDKHCTJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.07
Rot. Bonds5

About 1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine

1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine (PubChem CID 104888076) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine
PubChem CID104888076
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC Name1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine
SMILESNN/C(=N\CCCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C11H21F3N4/c12-11(13,14)7-3-4-8-16-10(18-15)17-9-5-1-2-6-9/h9H,1-8,15H2,(H2,16,17,18)
InChIKeyXAOPFGXBDKHCTJ-UHFFFAOYSA-N
XLogP2.07
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine (CID 104888076) is 1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine is NN/C(=N\CCCCC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine?
The InChIKey is XAOPFGXBDKHCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c12-11(13,14)7-3-4-8-16-10(18-15)17-9-5-1-2-6-9/h9H,1-8,15H2,(H2,16,17,18).
What are the key properties of 1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine?
1-amino-3-cyclopentyl-2-(5,5,5-trifluoropentyl)guanidine has a molecular weight of 266.31 g/mol, XLogP of 2.07, 5 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-(5,5,5-trifluoropentyl)guanidine is sourced from PubChem (CID 104888076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).