N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline

C15H21F3N2 — CID 142923043

IUPACN-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline
SMILESCCC/C(=N\N(C)c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C15H21F3N2/c1-5-6-14(11(2)3)19-20(4)13-9-7-12(8-10-13)15(16,17)18/h7-11H,5-6H2,1-4H3/b19-14+
InChIKeyNCSYQOQHUROUJX-XMHGGMMESA-N
MW286.34 g/mol
LogP4.95
Rot. Bonds5

About N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline

N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline (PubChem CID 142923043) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline
PubChem CID142923043
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline
SMILESCCC/C(=N\N(C)c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C15H21F3N2/c1-5-6-14(11(2)3)19-20(4)13-9-7-12(8-10-13)15(16,17)18/h7-11H,5-6H2,1-4H3/b19-14+
InChIKeyNCSYQOQHUROUJX-XMHGGMMESA-N
XLogP4.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.95
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'}

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Related Compounds

N-[(Z)-hexan-2-ylideneamino]-N-methyl-4-(trifluoromethyl)aniline
CID 142923012
(3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane
CID 142922997
N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
CID 146165674
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
CID 167467620
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
(2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 135213457
1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol
CID 70591029
N'-[[4-(trifluoromethyl)phenyl]methyl]butanimidamide
CID 63174113
N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 123733805
2-[N-methyl-4-(trifluoromethyl)anilino]butanoic acid
CID 62648084
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline (CID 142923043) is N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline is CCC/C(=N\N(C)c1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline?
The InChIKey is NCSYQOQHUROUJX-XMHGGMMESA-N. The full InChI is InChI=1S/C15H21F3N2/c1-5-6-14(11(2)3)19-20(4)13-9-7-12(8-10-13)15(16,17)18/h7-11H,5-6H2,1-4H3/b19-14+.
What are the key properties of N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline?
N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 142923043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).