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

C10H21F3N4 — CID 104888078

IUPAC1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine
SMILESCC(C)C/N=C(\NN)NCCCCC(F)(F)F
InChIInChI=1S/C10H21F3N4/c1-8(2)7-16-9(17-14)15-6-4-3-5-10(11,12)13/h8H,3-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyOIEDBPIVUZQONN-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.78
Rot. Bonds6

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

1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine (PubChem CID 104888078) has the molecular formula C10H21F3N4 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine
PubChem CID104888078
Molecular FormulaC10H21F3N4
Molecular Weight254.30 g/mol
Exact Mass254.17
IUPAC Name1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine
SMILESCC(C)C/N=C(\NN)NCCCCC(F)(F)F
InChIInChI=1S/C10H21F3N4/c1-8(2)7-16-9(17-14)15-6-4-3-5-10(11,12)13/h8H,3-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyOIEDBPIVUZQONN-UHFFFAOYSA-N
XLogP1.78
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.78
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-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine (CID 104888078) is 1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine is CC(C)C/N=C(\NN)NCCCCC(F)(F)F.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine?
The InChIKey is OIEDBPIVUZQONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4/c1-8(2)7-16-9(17-14)15-6-4-3-5-10(11,12)13/h8H,3-7,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine?
1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine has a molecular weight of 254.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine is sourced from PubChem (CID 104888078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).