2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol

C19H28F3N3O — CID 166702820

IUPAC2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol
SMILESC=C(C(O)C(C)C)N(/C=C(\CC)c1cnc(N)c(C(F)(F)F)c1)CCC
InChIInChI=1S/C19H28F3N3O/c1-6-8-25(13(5)17(26)12(3)4)11-14(7-2)15-9-16(19(20,21)22)18(23)24-10-15/h9-12,17,26H,5-8H2,1-4H3,(H2,23,24)/b14-11+
InChIKeyQZSFOTGRRNOEGC-SDNWHVSQSA-N
MW371.45 g/mol
LogP4.68
Rot. Bonds8

About 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol

2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol (PubChem CID 166702820) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol.

Molecular Properties

Compound Name2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol
PubChem CID166702820
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol
SMILESC=C(C(O)C(C)C)N(/C=C(\CC)c1cnc(N)c(C(F)(F)F)c1)CCC
InChIInChI=1S/C19H28F3N3O/c1-6-8-25(13(5)17(26)12(3)4)11-14(7-2)15-9-16(19(20,21)22)18(23)24-10-15/h9-12,17,26H,5-8H2,1-4H3,(H2,23,24)/b14-11+
InChIKeyQZSFOTGRRNOEGC-SDNWHVSQSA-N
XLogP4.68
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol with MolForge

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Related Compounds

3-N-[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-3-N-(4-methylpent-1-en-2-yl)-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 166702782
2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-(2-methylcyclobut-2-en-1-yl)amino]-1-cyclopropylprop-2-en-1-ol
CID 166702722
5-(1-amino-3-propan-2-yliminoprop-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 162595760
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169453823
(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol
CID 138499373
5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 123704629
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459565
5-[1-amino-3-[(1S,5R)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-3-propan-2-yliminoprop-1-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 162616416
5-[1-amino-3-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]-3-propan-2-yliminoprop-1-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 147643150
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485449
4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
CID 62154997
ethyl 3-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171866757

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol?
The IUPAC name of 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol (CID 166702820) is 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol.
What is the SMILES notation for 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol?
The canonical SMILES for 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol is C=C(C(O)C(C)C)N(/C=C(\CC)c1cnc(N)c(C(F)(F)F)c1)CCC.
What is the InChIKey of 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol?
The InChIKey is QZSFOTGRRNOEGC-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H28F3N3O/c1-6-8-25(13(5)17(26)12(3)4)11-14(7-2)15-9-16(19(20,21)22)18(23)24-10-15/h9-12,17,26H,5-8H2,1-4H3,(H2,23,24)/b14-11+.
What are the key properties of 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol?
2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol has a molecular weight of 371.45 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]but-1-enyl]-propylamino]-4-methylpent-1-en-3-ol is sourced from PubChem (CID 166702820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).