N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine

C9H12F3N3 — CID 2987976

IUPACN'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
SMILESNCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-2-3-8(15-6-7)14-5-1-4-13/h2-3,6H,1,4-5,13H2,(H,14,15)
InChIKeyIVDLNVVMUHDZMU-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.86
Rot. Bonds4

About N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine

N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine (PubChem CID 2987976) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
PubChem CID2987976
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
SMILESNCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-2-3-8(15-6-7)14-5-1-4-13/h2-3,6H,1,4-5,13H2,(H,14,15)
InChIKeyIVDLNVVMUHDZMU-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Aminopyridine
CID 10439
2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
N-2-Pyridylaniline
CID 81130
1-(2-Pyridyl)piperazine
CID 94459
2-Dimethylaminopyridine
CID 21885
2-Pyridinamine, N-methyl-
CID 20727
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
WZ 811
CID 11565518

Frequently Asked Questions

What is the IUPAC name of N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine (CID 2987976) is N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine is NCCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine?
The InChIKey is IVDLNVVMUHDZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)7-2-3-8(15-6-7)14-5-1-4-13/h2-3,6H,1,4-5,13H2,(H,14,15).
What are the key properties of N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine?
N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine has a molecular weight of 219.21 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 2987976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).