2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide

C8H14F3N3 — CID 123403533

IUPAC2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide
SMILESCCC(C)/C(N)=N/C(=N/C)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-4-5(2)6(12)14-7(13-3)8(9,10)11/h5H,4H2,1-3H3,(H2,12,13,14)
InChIKeyBTEACNUQEDKHLA-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide

2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide (PubChem CID 123403533) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide
PubChem CID123403533
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide
SMILESCCC(C)/C(N)=N/C(=N/C)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-4-5(2)6(12)14-7(13-3)8(9,10)11/h5H,4H2,1-3H3,(H2,12,13,14)
InChIKeyBTEACNUQEDKHLA-UHFFFAOYSA-N
XLogP1.98
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 174036232
CID 174036232
2-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
N'-ethenyl-2-methylbutanimidamide
CID 155258668
N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 148541758
N-(1-aminoethylidene)-2-methylbutanamide
CID 123142152
(E)-4-methyl-3-(trifluoromethyl)hex-2-ene
CID 162547345
2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide
CID 123295140
1,1,1-trifluoro-2-hydroxy-5-methylhept-2-en-4-one
CID 153484564
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
CID 121231764
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
CID 77102469
N,2,3,5-tetramethylheptan-4-imine
CID 174244077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide?
The IUPAC name of 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide (CID 123403533) is 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide.
What is the SMILES notation for 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide?
The canonical SMILES for 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide is CCC(C)/C(N)=N/C(=N/C)C(F)(F)F.
What is the InChIKey of 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide?
The InChIKey is BTEACNUQEDKHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3/c1-4-5(2)6(12)14-7(13-3)8(9,10)11/h5H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide?
2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide has a molecular weight of 209.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide is sourced from PubChem (CID 123403533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).