1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide

C10H22F3IN4 — CID 75532965

IUPAC1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCCN(C)CC(F)(F)F.I
InChIInChI=1S/C10H21F3N4.HI/c1-3-5-15-9(14)16-6-4-7-17(2)8-10(11,12)13;/h3-8H2,1-2H3,(H3,14,15,16);1H
InChIKeyDXGVMKMYIFNHEA-UHFFFAOYSA-N
MW382.21 g/mol
LogP1.80
Rot. Bonds7

About 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide

1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide (PubChem CID 75532965) has the molecular formula C10H22F3IN4 and a molecular weight of 382.21 g/mol. Its IUPAC name is 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide
PubChem CID75532965
Molecular FormulaC10H22F3IN4
Molecular Weight382.21 g/mol
Exact Mass382.08
IUPAC Name1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCCN(C)CC(F)(F)F.I
InChIInChI=1S/C10H21F3N4.HI/c1-3-5-15-9(14)16-6-4-7-17(2)8-10(11,12)13;/h3-8H2,1-2H3,(H3,14,15,16);1H
InChIKeyDXGVMKMYIFNHEA-UHFFFAOYSA-N
XLogP1.80
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide?
The IUPAC name of 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide (CID 75532965) is 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide is CCC/N=C(\N)NCCCN(C)CC(F)(F)F.I.
What is the InChIKey of 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide?
The InChIKey is DXGVMKMYIFNHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4.HI/c1-3-5-15-9(14)16-6-4-7-17(2)8-10(11,12)13;/h3-8H2,1-2H3,(H3,14,15,16);1H.
What are the key properties of 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide?
1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide has a molecular weight of 382.21 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide is sourced from PubChem (CID 75532965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).