1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine

C15H19F6N5O — CID 88569190

IUPAC1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine
SMILESC=C(NNc1ccc(N2CCOCC2)nc1)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H19F6N5O/c1-10(23-13(2,14(16,17)18)15(19,20)21)24-25-11-3-4-12(22-9-11)26-5-7-27-8-6-26/h3-4,9,23-25H,1,5-8H2,2H3
InChIKeyHBDWWEVOIOMGIS-UHFFFAOYSA-N
MW399.34 g/mol
LogP2.78
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine

1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine (PubChem CID 88569190) has the molecular formula C15H19F6N5O and a molecular weight of 399.34 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine
PubChem CID88569190
Molecular FormulaC15H19F6N5O
Molecular Weight399.34 g/mol
Exact Mass399.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine
SMILESC=C(NNc1ccc(N2CCOCC2)nc1)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H19F6N5O/c1-10(23-13(2,14(16,17)18)15(19,20)21)24-25-11-3-4-12(22-9-11)26-5-7-27-8-6-26/h3-4,9,23-25H,1,5-8H2,2H3
InChIKeyHBDWWEVOIOMGIS-UHFFFAOYSA-N
XLogP2.78
TPSA61.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diamine
CID 107445126
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724722
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
N-[(3-ethylimidazol-4-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 66134418
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
6-morpholin-4-yl-N-(2-phenylethyl)pyridin-3-amine
CID 43724739
1-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95772331
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine (CID 88569190) is 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine is C=C(NNc1ccc(N2CCOCC2)nc1)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine?
The InChIKey is HBDWWEVOIOMGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F6N5O/c1-10(23-13(2,14(16,17)18)15(19,20)21)24-25-11-3-4-12(22-9-11)26-5-7-27-8-6-26/h3-4,9,23-25H,1,5-8H2,2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine?
1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine has a molecular weight of 399.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methyl-N-[1-[2-(6-morpholin-4-yl-3-pyridinyl)hydrazinyl]ethenyl]propan-2-amine is sourced from PubChem (CID 88569190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).