5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

C14H22F3N3O — CID 107324249

IUPAC5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCCCNc1cc(C(F)(F)F)cc(NCCCCCO)n1
InChIInChI=1S/C14H22F3N3O/c1-2-6-18-12-9-11(14(15,16)17)10-13(20-12)19-7-4-3-5-8-21/h9-10,21H,2-8H2,1H3,(H2,18,19,20)
InChIKeyBABJKGDEVUWFHX-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.50
Rot. Bonds9

About 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (PubChem CID 107324249) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
PubChem CID107324249
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCCCNc1cc(C(F)(F)F)cc(NCCCCCO)n1
InChIInChI=1S/C14H22F3N3O/c1-2-6-18-12-9-11(14(15,16)17)10-13(20-12)19-7-4-3-5-8-21/h9-10,21H,2-8H2,1H3,(H2,18,19,20)
InChIKeyBABJKGDEVUWFHX-UHFFFAOYSA-N
XLogP3.50
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102719358
2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102717771
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324083
6-N-(3-methylpentan-2-yl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717856
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (CID 107324249) is 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is CCCNc1cc(C(F)(F)F)cc(NCCCCCO)n1.
What is the InChIKey of 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The InChIKey is BABJKGDEVUWFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-2-6-18-12-9-11(14(15,16)17)10-13(20-12)19-7-4-3-5-8-21/h9-10,21H,2-8H2,1H3,(H2,18,19,20).
What are the key properties of 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 107324249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).