N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline

C14H19F3N2 — CID 142923012

IUPACN-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline
SMILESCCCC/C(C)=N\N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c1-4-5-6-11(2)18-19(3)13-9-7-12(8-10-13)14(15,16)17/h7-10H,4-6H2,1-3H3/b18-11-
InChIKeyOCHQHFJYRJHWAF-WQRHYEAKSA-N
MW272.31 g/mol
LogP4.71
Rot. Bonds5

About N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline

N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline (PubChem CID 142923012) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline
PubChem CID142923012
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline
SMILESCCCC/C(C)=N\N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c1-4-5-6-11(2)18-19(3)13-9-7-12(8-10-13)14(15,16)17/h7-10H,4-6H2,1-3H3/b18-11-
InChIKeyOCHQHFJYRJHWAF-WQRHYEAKSA-N
XLogP4.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline 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-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline
CID 142923043
(3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane
CID 142922997
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061483
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
[(Z)-2-methylhex-1-enyl]-[4-(trifluoromethyl)phenyl]iodanium
CID 100950048
N'-butyl-N'-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62649946
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine
CID 155275361
1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
CID 167467620
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
CID 113468933

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline (CID 142923012) is N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline is CCCC/C(C)=N\N(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is OCHQHFJYRJHWAF-WQRHYEAKSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-4-5-6-11(2)18-19(3)13-9-7-12(8-10-13)14(15,16)17/h7-10H,4-6H2,1-3H3/b18-11-.
What are the key properties of N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline?
N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 272.31 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 142923012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).