4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine

C13H20F3N — CID 123677463

IUPAC4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine
SMILES[H]/N=C/C(=CC1CC1C)C(C(C)CC)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-4-8(2)12(13(14,15)16)11(7-17)6-10-5-9(10)3/h6-10,12,17H,4-5H2,1-3H3/b11-6?,17-7+
InChIKeyUZNMVEZROWEMDV-VTZCNVMRSA-N
MW247.30 g/mol
LogP4.44
Rot. Bonds5

About 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine

4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine (PubChem CID 123677463) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine.

Molecular Properties

Compound Name4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine
PubChem CID123677463
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine
SMILES[H]/N=C/C(=CC1CC1C)C(C(C)CC)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-4-8(2)12(13(14,15)16)11(7-17)6-10-5-9(10)3/h6-10,12,17H,4-5H2,1-3H3/b11-6?,17-7+
InChIKeyUZNMVEZROWEMDV-VTZCNVMRSA-N
XLogP4.44
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-6,6,6-trifluoro-5-methyl-2-propylhex-4-en-1-imine
CID 89708392
2-[2-(2-Methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine
CID 123526598
(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine
CID 126497184
(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
CID 166919456
(2E,4E)-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 169619268
(E)-2-(difluoromethyl)-5-[(1R,2R)-2-propan-2-ylcyclopropyl]hex-2-en-1-imine
CID 169619378
(E)-5-[(1R,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)hex-2-en-1-imine
CID 169619447
(2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine
CID 171801972
(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine
CID 147592082
(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine
CID 152802956
7-Ethyl-3-methyl-2-methylidenenon-6-en-1-imine
CID 89282931
(2Z)-3-ethyl-2-ethylidenehexan-1-imine
CID 163244263

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine?
The IUPAC name of 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine (CID 123677463) is 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine.
What is the SMILES notation for 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine?
The canonical SMILES for 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine is [H]/N=C/C(=CC1CC1C)C(C(C)CC)C(F)(F)F.
What is the InChIKey of 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine?
The InChIKey is UZNMVEZROWEMDV-VTZCNVMRSA-N. The full InChI is InChI=1S/C13H20F3N/c1-4-8(2)12(13(14,15)16)11(7-17)6-10-5-9(10)3/h6-10,12,17H,4-5H2,1-3H3/b11-6?,17-7+.
What are the key properties of 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine?
4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine has a molecular weight of 247.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine is sourced from PubChem (CID 123677463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).