1-amino-2-(3-fluoropropyl)guanidine

C4H11FN4 — CID 89020440

IUPAC1-amino-2-(3-fluoropropyl)guanidine
SMILESNN/C(N)=N/CCCF
InChIInChI=1S/C4H11FN4/c5-2-1-3-8-4(6)9-7/h1-3,7H2,(H3,6,8,9)
InChIKeySKCYIROGTMAYOK-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.88
Rot. Bonds3

About 1-amino-2-(3-fluoropropyl)guanidine

1-amino-2-(3-fluoropropyl)guanidine (PubChem CID 89020440) has the molecular formula C4H11FN4 and a molecular weight of 134.16 g/mol. Its IUPAC name is 1-amino-2-(3-fluoropropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-fluoropropyl)guanidine
PubChem CID89020440
Molecular FormulaC4H11FN4
Molecular Weight134.16 g/mol
Exact Mass134.10
IUPAC Name1-amino-2-(3-fluoropropyl)guanidine
SMILESNN/C(N)=N/CCCF
InChIInChI=1S/C4H11FN4/c5-2-1-3-8-4(6)9-7/h1-3,7H2,(H3,6,8,9)
InChIKeySKCYIROGTMAYOK-UHFFFAOYSA-N
XLogP-0.88
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.88
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-2-(3-fluoropropyl)guanidine?
The IUPAC name of 1-amino-2-(3-fluoropropyl)guanidine (CID 89020440) is 1-amino-2-(3-fluoropropyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-fluoropropyl)guanidine?
The canonical SMILES for 1-amino-2-(3-fluoropropyl)guanidine is NN/C(N)=N/CCCF.
What is the InChIKey of 1-amino-2-(3-fluoropropyl)guanidine?
The InChIKey is SKCYIROGTMAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN4/c5-2-1-3-8-4(6)9-7/h1-3,7H2,(H3,6,8,9).
What are the key properties of 1-amino-2-(3-fluoropropyl)guanidine?
1-amino-2-(3-fluoropropyl)guanidine has a molecular weight of 134.16 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-fluoropropyl)guanidine is sourced from PubChem (CID 89020440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).