2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine

C10H14F3N5 — CID 47083315

IUPAC2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
SMILESNC(N)=NCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)7-2-3-8(18-6-7)16-4-1-5-17-9(14)15/h2-3,6H,1,4-5H2,(H,16,18)(H4,14,15,17)
InChIKeySSHXRKYFXNKMGP-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.18
Rot. Bonds5

About 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine

2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine (PubChem CID 47083315) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
PubChem CID47083315
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
SMILESNC(N)=NCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)7-2-3-8(18-6-7)16-4-1-5-17-9(14)15/h2-3,6H,1,4-5H2,(H,16,18)(H4,14,15,17)
InChIKeySSHXRKYFXNKMGP-UHFFFAOYSA-N
XLogP1.18
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.18
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'}

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Related Compounds

1-tert-butyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063597
1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 75418159
1,1,3,3-tetramethyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063615
1-(3,5-dimethylphenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063593
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
1-(3-ethoxypropyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063605
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
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine?
The IUPAC name of 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine (CID 47083315) is 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine.
What is the SMILES notation for 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine?
The canonical SMILES for 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine is NC(N)=NCCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine?
The InChIKey is SSHXRKYFXNKMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c11-10(12,13)7-2-3-8(18-6-7)16-4-1-5-17-9(14)15/h2-3,6H,1,4-5H2,(H,16,18)(H4,14,15,17).
What are the key properties of 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine?
2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine has a molecular weight of 261.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine is sourced from PubChem (CID 47083315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).