3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine

C12H19F3N2 — CID 163897078

IUPAC3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine
SMILESC=C(C)/C(=N\C=C(/C)C(F)(F)F)C(C)C(C)N
InChIInChI=1S/C12H19F3N2/c1-7(2)11(9(4)10(5)16)17-6-8(3)12(13,14)15/h6,9-10H,1,16H2,2-5H3/b8-6+,17-11+
InChIKeyQGOZHOBQNPXPDI-BRHQFWLOSA-N
MW248.29 g/mol
LogP3.45
Rot. Bonds4

About 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine

3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine (PubChem CID 163897078) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine.

Molecular Properties

Compound Name3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine
PubChem CID163897078
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine
SMILESC=C(C)/C(=N\C=C(/C)C(F)(F)F)C(C)C(C)N
InChIInChI=1S/C12H19F3N2/c1-7(2)11(9(4)10(5)16)17-6-8(3)12(13,14)15/h6,9-10H,1,16H2,2-5H3/b8-6+,17-11+
InChIKeyQGOZHOBQNPXPDI-BRHQFWLOSA-N
XLogP3.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethyl-5-propylimino-6-(trifluoromethyl)-3,4-dihydroazepin-2-amine
CID 123758096
7-(Fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine
CID 137400838
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404815
(Z)-2-[(3R,4S)-3,4-dimethyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl]prop-1-en-1-amine
CID 164111174
3-Cyclohexylimino-4,4-difluoro-2-methylpent-1-en-1-amine
CID 173755707
4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine
CID 153404808
(1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine
CID 162044080
(E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine
CID 177328070
3-Ethyl-5-(2-methylprop-1-enylimino)hept-6-ene-1,4-diamine
CID 144799384
4-[(Z,3E)-1-amino-3-(difluoromethylimino)but-1-en-2-yl]cyclohexan-1-amine;sulfane
CID 153404807
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404945
(Z)-3-cyclopentylimino-2-ethyl-4-methylpent-1-en-1-amine;methane
CID 171505830

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine?
The IUPAC name of 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine (CID 163897078) is 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine.
What is the SMILES notation for 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine?
The canonical SMILES for 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine is C=C(C)/C(=N\C=C(/C)C(F)(F)F)C(C)C(C)N.
What is the InChIKey of 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine?
The InChIKey is QGOZHOBQNPXPDI-BRHQFWLOSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-7(2)11(9(4)10(5)16)17-6-8(3)12(13,14)15/h6,9-10H,1,16H2,2-5H3/b8-6+,17-11+.
What are the key properties of 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine?
3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine has a molecular weight of 248.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine is sourced from PubChem (CID 163897078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).