2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride

C6H17Cl2FN4 — CID 19773261

IUPAC2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCC(N)CF
InChIInChI=1S/C6H15FN4.2ClH/c7-4-5(8)2-1-3-11-6(9)10;;/h5H,1-4,8H2,(H4,9,10,11);2*1H
InChIKeyPTHOMUAEALIRBQ-UHFFFAOYSA-N
MW235.13 g/mol
LogP0.18
Rot. Bonds5

About 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride

2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride (PubChem CID 19773261) has the molecular formula C6H17Cl2FN4 and a molecular weight of 235.13 g/mol. Its IUPAC name is 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride.

Molecular Properties

Compound Name2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride
PubChem CID19773261
Molecular FormulaC6H17Cl2FN4
Molecular Weight235.13 g/mol
Exact Mass234.08
IUPAC Name2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCC(N)CF
InChIInChI=1S/C6H15FN4.2ClH/c7-4-5(8)2-1-3-11-6(9)10;;/h5H,1-4,8H2,(H4,9,10,11);2*1H
InChIKeyPTHOMUAEALIRBQ-UHFFFAOYSA-N
XLogP0.18
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride?
The IUPAC name of 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride (CID 19773261) is 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride.
What is the SMILES notation for 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride?
The canonical SMILES for 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride is Cl.Cl.NC(N)=NCCCC(N)CF.
What is the InChIKey of 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride?
The InChIKey is PTHOMUAEALIRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN4.2ClH/c7-4-5(8)2-1-3-11-6(9)10;;/h5H,1-4,8H2,(H4,9,10,11);2*1H.
What are the key properties of 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride?
2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride has a molecular weight of 235.13 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-fluoropentyl)guanidine;dihydrochloride is sourced from PubChem (CID 19773261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).