1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine

C8H13F3N2 — CID 147847965

IUPAC1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine
SMILESC/N=C(/C=C(N)C(F)(F)F)C(C)C
InChIInChI=1S/C8H13F3N2/c1-5(2)6(13-3)4-7(12)8(9,10)11/h4-5H,12H2,1-3H3/b7-4?,13-6-
InChIKeyWKEYGZCZTQWSAY-URNVYNJXSA-N
MW194.20 g/mol
LogP2.12
Rot. Bonds2

About 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine

1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine (PubChem CID 147847965) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine
PubChem CID147847965
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine
SMILESC/N=C(/C=C(N)C(F)(F)F)C(C)C
InChIInChI=1S/C8H13F3N2/c1-5(2)6(13-3)4-7(12)8(9,10)11/h4-5H,12H2,1-3H3/b7-4?,13-6-
InChIKeyWKEYGZCZTQWSAY-URNVYNJXSA-N
XLogP2.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine?
The IUPAC name of 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine (CID 147847965) is 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine is C/N=C(/C=C(N)C(F)(F)F)C(C)C.
What is the InChIKey of 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine?
The InChIKey is WKEYGZCZTQWSAY-URNVYNJXSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-5(2)6(13-3)4-7(12)8(9,10)11/h4-5H,12H2,1-3H3/b7-4?,13-6-.
What are the key properties of 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine?
1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine has a molecular weight of 194.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methyl-4-methyliminohex-2-en-2-amine is sourced from PubChem (CID 147847965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).