2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide

C8H15F3N2 — CID 130934515

IUPAC2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide
SMILESCC(C)/C(N)=N\C(C)(C)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-5(2)6(12)13-7(3,4)8(9,10)11/h5H,1-4H3,(H2,12,13)
InChIKeyJBIUFVFMSCGBKE-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.34
Rot. Bonds2

About 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide

2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide (PubChem CID 130934515) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide
PubChem CID130934515
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide
SMILESCC(C)/C(N)=N\C(C)(C)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-5(2)6(12)13-7(3,4)8(9,10)11/h5H,1-4H3,(H2,12,13)
InChIKeyJBIUFVFMSCGBKE-UHFFFAOYSA-N
XLogP2.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.34
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

N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide
CID 170268144
[(E)-(1-amino-2-methylpropylidene)amino] hypofluorite
CID 153378925
CID 171370188
CID 171370188
N'-amino-2-methylpropanimidamide;dihydrochloride
CID 167730390
N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
CID 172821400
3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide
CID 106280324
N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide
CID 104766079
2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide
CID 54095971
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride
CID 87235150
2,3-dimethyl-2-(trifluoromethyl)butan-1-ol
CID 134604983
2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
CID 58663964

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide?
The IUPAC name of 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide (CID 130934515) is 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide is CC(C)/C(N)=N\C(C)(C)C(F)(F)F.
What is the InChIKey of 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide?
The InChIKey is JBIUFVFMSCGBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-5(2)6(12)13-7(3,4)8(9,10)11/h5H,1-4H3,(H2,12,13).
What are the key properties of 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide?
2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide has a molecular weight of 196.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide is sourced from PubChem (CID 130934515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).