trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide

C11H15BF3N2- — CID 106746198

IUPACtrifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)Cc1cccc(C)n1)[B-](F)(F)F
InChIInChI=1S/C11H15BF3N2/c1-9(12(13,14)15)7-17(3)8-11-6-4-5-10(2)16-11/h4-6H,1,7-8H2,2-3H3/q-1
InChIKeyKISGBDSZYMYFLO-UHFFFAOYSA-N
MW243.06 g/mol
LogP2.76
Rot. Bonds5

About trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide

trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide (PubChem CID 106746198) has the molecular formula C11H15BF3N2- and a molecular weight of 243.06 g/mol. Its IUPAC name is trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide
PubChem CID106746198
Molecular FormulaC11H15BF3N2-
Molecular Weight243.06 g/mol
Exact Mass243.13
IUPAC Nametrifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)Cc1cccc(C)n1)[B-](F)(F)F
InChIInChI=1S/C11H15BF3N2/c1-9(12(13,14)15)7-17(3)8-11-6-4-5-10(2)16-11/h4-6H,1,7-8H2,2-3H3/q-1
InChIKeyKISGBDSZYMYFLO-UHFFFAOYSA-N
XLogP2.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1-phenylethanone
CID 14590944
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]ethenamine
CID 167486636
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid
CID 82820939
1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid
CID 116632248
(Z)-2-ethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]but-2-enoic acid
CID 134000503
1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 115475479

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide (CID 106746198) is trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide is C=C(CN(C)Cc1cccc(C)n1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide?
The InChIKey is KISGBDSZYMYFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BF3N2/c1-9(12(13,14)15)7-17(3)8-11-6-4-5-10(2)16-11/h4-6H,1,7-8H2,2-3H3/q-1.
What are the key properties of trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide?
trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide has a molecular weight of 243.06 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).