5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine

C8H13F3N2 — CID 72560383

IUPAC5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(\C=C(C)N(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-6(13(3)4)5-7(12-2)8(9,10)11/h5H,1-4H3/b6-5?,12-7+
InChIKeyZJTKGJNOWXCRAV-DOHVUMKLSA-N
MW194.20 g/mol
LogP2.08
Rot. Bonds2

About 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine

5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine (PubChem CID 72560383) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
PubChem CID72560383
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(\C=C(C)N(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-6(13(3)4)5-7(12-2)8(9,10)11/h5H,1-4H3/b6-5?,12-7+
InChIKeyZJTKGJNOWXCRAV-DOHVUMKLSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
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 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine (CID 72560383) is 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine is C/N=C(\C=C(C)N(C)C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The InChIKey is ZJTKGJNOWXCRAV-DOHVUMKLSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-6(13(3)4)5-7(12-2)8(9,10)11/h5H,1-4H3/b6-5?,12-7+.
What are the key properties of 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine?
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine has a molecular weight of 194.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 72560383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).