1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine

C6H15FN4 — CID 130505163

IUPAC1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N/CCF)NN
InChIInChI=1S/C6H15FN4/c1-5(2)10-6(11-8)9-4-3-7/h5H,3-4,8H2,1-2H3,(H2,9,10,11)
InChIKeyDMFQWCFNRQMYNX-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.23
Rot. Bonds3

About 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine

1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine (PubChem CID 130505163) has the molecular formula C6H15FN4 and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine
PubChem CID130505163
Molecular FormulaC6H15FN4
Molecular Weight162.21 g/mol
Exact Mass162.13
IUPAC Name1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N/CCF)NN
InChIInChI=1S/C6H15FN4/c1-5(2)10-6(11-8)9-4-3-7/h5H,3-4,8H2,1-2H3,(H2,9,10,11)
InChIKeyDMFQWCFNRQMYNX-UHFFFAOYSA-N
XLogP-0.23
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.23
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine (CID 130505163) is 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine is CC(C)N/C(=N/CCF)NN.
What is the InChIKey of 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine?
The InChIKey is DMFQWCFNRQMYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN4/c1-5(2)10-6(11-8)9-4-3-7/h5H,3-4,8H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine?
1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine has a molecular weight of 162.21 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 130505163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).