2-(4-amino-1-fluoropentyl)guanidine

C6H15FN4 — CID 88665162

IUPAC2-(4-amino-1-fluoropentyl)guanidine
SMILESCC(N)CCC(F)N=C(N)N
InChIInChI=1S/C6H15FN4/c1-4(8)2-3-5(7)11-6(9)10/h4-5H,2-3,8H2,1H3,(H4,9,10,11)
InChIKeyGDTGGDFACRJBBL-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.32
Rot. Bonds4

About 2-(4-amino-1-fluoropentyl)guanidine

2-(4-amino-1-fluoropentyl)guanidine (PubChem CID 88665162) has the molecular formula C6H15FN4 and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-(4-amino-1-fluoropentyl)guanidine.

Molecular Properties

Compound Name2-(4-amino-1-fluoropentyl)guanidine
PubChem CID88665162
Molecular FormulaC6H15FN4
Molecular Weight162.21 g/mol
Exact Mass162.13
IUPAC Name2-(4-amino-1-fluoropentyl)guanidine
SMILESCC(N)CCC(F)N=C(N)N
InChIInChI=1S/C6H15FN4/c1-4(8)2-3-5(7)11-6(9)10/h4-5H,2-3,8H2,1H3,(H4,9,10,11)
InChIKeyGDTGGDFACRJBBL-UHFFFAOYSA-N
XLogP-0.32
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-fluoropentyl)guanidine?
The IUPAC name of 2-(4-amino-1-fluoropentyl)guanidine (CID 88665162) is 2-(4-amino-1-fluoropentyl)guanidine.
What is the SMILES notation for 2-(4-amino-1-fluoropentyl)guanidine?
The canonical SMILES for 2-(4-amino-1-fluoropentyl)guanidine is CC(N)CCC(F)N=C(N)N.
What is the InChIKey of 2-(4-amino-1-fluoropentyl)guanidine?
The InChIKey is GDTGGDFACRJBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN4/c1-4(8)2-3-5(7)11-6(9)10/h4-5H,2-3,8H2,1H3,(H4,9,10,11).
What are the key properties of 2-(4-amino-1-fluoropentyl)guanidine?
2-(4-amino-1-fluoropentyl)guanidine has a molecular weight of 162.21 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-fluoropentyl)guanidine is sourced from PubChem (CID 88665162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).