N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine

C12H15F3N2 — CID 115637573

IUPACN-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCCC2CC2)nc1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-5-6-11(17-8-10)16-7-1-2-9-3-4-9/h5-6,8-9H,1-4,7H2,(H,16,17)
InChIKeyQLSQGTYRQLOAOG-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.70
Rot. Bonds5

About N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine

N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 115637573) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID115637573
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCCC2CC2)nc1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-5-6-11(17-8-10)16-7-1-2-9-3-4-9/h5-6,8-9H,1-4,7H2,(H,16,17)
InChIKeyQLSQGTYRQLOAOG-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine
CID 52987251
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073
1-cyclopropyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 75418159
2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 47083315
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
N-(4-ethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 63540704
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
2,3,5-trimethyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclohexa-2,5-diene-1,4-dione
CID 67069252

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine (CID 115637573) is N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCCCC2CC2)nc1.
What is the InChIKey of N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QLSQGTYRQLOAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)10-5-6-11(17-8-10)16-7-1-2-9-3-4-9/h5-6,8-9H,1-4,7H2,(H,16,17).
What are the key properties of N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 244.26 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115637573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).