1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide

C13H19F3IN5 — CID 75418159

IUPAC1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCCNc1ccc(C(F)(F)F)cn1)NC1CC1
InChIInChI=1S/C13H18F3N5.HI/c14-13(15,16)9-2-5-11(20-8-9)18-6-1-7-19-12(17)21-10-3-4-10;/h2,5,8,10H,1,3-4,6-7H2,(H,18,20)(H3,17,19,21);1H
InChIKeyGRYORRCIPLMHRF-UHFFFAOYSA-N
MW429.23 g/mol
LogP2.59
Rot. Bonds6

About 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide

1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide (PubChem CID 75418159) has the molecular formula C13H19F3IN5 and a molecular weight of 429.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
PubChem CID75418159
Molecular FormulaC13H19F3IN5
Molecular Weight429.23 g/mol
Exact Mass429.06
IUPAC Name1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCCNc1ccc(C(F)(F)F)cn1)NC1CC1
InChIInChI=1S/C13H18F3N5.HI/c14-13(15,16)9-2-5-11(20-8-9)18-6-1-7-19-12(17)21-10-3-4-10;/h2,5,8,10H,1,3-4,6-7H2,(H,18,20)(H3,17,19,21);1H
InChIKeyGRYORRCIPLMHRF-UHFFFAOYSA-N
XLogP2.59
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.23
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

1-tert-butyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063597
2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 47083315
1-(3-ethoxypropyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063605
1-(3,5-dimethylphenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063593
1,1,3,3-tetramethyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063615
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 109439347
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
1-butan-2-yl-3-ethyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 110944262
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide (CID 75418159) is 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide is I.N/C(=N\CCCNc1ccc(C(F)(F)F)cn1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide?
The InChIKey is GRYORRCIPLMHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5.HI/c14-13(15,16)9-2-5-11(20-8-9)18-6-1-7-19-12(17)21-10-3-4-10;/h2,5,8,10H,1,3-4,6-7H2,(H,18,20)(H3,17,19,21);1H.
What are the key properties of 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide?
1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide has a molecular weight of 429.23 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide is sourced from PubChem (CID 75418159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).