N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine

C11H16F3N — CID 146615392

IUPACN-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C(C(\C)=C/C)/C(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3N/c1-6-8(4)9(11(12,13)14)10(15-5)7(2)3/h6-7H,5H2,1-4H3/b8-6-,10-9+
InChIKeyWUJMULZKYNPJCD-JWJWWGMXSA-N
MW219.25 g/mol
LogP4.13
Rot. Bonds3

About N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine

N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine (PubChem CID 146615392) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
PubChem CID146615392
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C(C(\C)=C/C)/C(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3N/c1-6-8(4)9(11(12,13)14)10(15-5)7(2)3/h6-7H,5H2,1-4H3/b8-6-,10-9+
InChIKeyWUJMULZKYNPJCD-JWJWWGMXSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine 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

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
CID 123150964
N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine
CID 123417513
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
CID 130347406
N-[(2Z,4E,6E)-6-fluoro-3-methyl-4-prop-1-en-2-ylocta-2,4,6-trien-2-yl]methanimine
CID 134298486
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[(3E,5E)-4-chloro-7,7,7-trifluoro-2,2,6-trimethylhepta-3,5-dien-3-yl]methanimine
CID 135291341

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine (CID 146615392) is N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine is C=N/C(=C(C(\C)=C/C)/C(F)(F)F)C(C)C.
What is the InChIKey of N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine?
The InChIKey is WUJMULZKYNPJCD-JWJWWGMXSA-N. The full InChI is InChI=1S/C11H16F3N/c1-6-8(4)9(11(12,13)14)10(15-5)7(2)3/h6-7H,5H2,1-4H3/b8-6-,10-9+.
What are the key properties of N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine?
N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine has a molecular weight of 219.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 146615392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).