(3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane

C19H33F3N2O — CID 142922997

IUPAC(3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane
SMILESCC.CC.CN(/N=C(\CCO)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O.2C2H6/c1-14(2,3)13(9-10-21)19-20(4)12-7-5-11(6-8-12)15(16,17)18;2*1-2/h5-8,21H,9-10H2,1-4H3;2*1-2H3/b19-13+;;
InChIKeyAOLNBENHIINJKR-BWSKXRJVSA-N
MW362.48 g/mol
LogP5.98
Rot. Bonds4

About (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane

(3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane (PubChem CID 142922997) has the molecular formula C19H33F3N2O and a molecular weight of 362.48 g/mol. Its IUPAC name is (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane.

Molecular Properties

Compound Name(3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane
PubChem CID142922997
Molecular FormulaC19H33F3N2O
Molecular Weight362.48 g/mol
Exact Mass362.25
IUPAC Name(3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane
SMILESCC.CC.CN(/N=C(\CCO)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O.2C2H6/c1-14(2,3)13(9-10-21)19-20(4)12-7-5-11(6-8-12)15(16,17)18;2*1-2/h5-8,21H,9-10H2,1-4H3;2*1-2H3/b19-13+;;
InChIKeyAOLNBENHIINJKR-BWSKXRJVSA-N
XLogP5.98
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline
CID 142923043
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline
CID 146573346
3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
CID 113468933
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
1-(chloromethyl)-3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]urea
CID 21398150
methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
CID 167467620
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
1,1,1-trifluoro-N-methyl-N-[4-methyl-2-[(E)-C-methyl-N-[N-methyl-4-(trifluoromethyl)anilino]carbonimidoyl]phenyl]methanesulfonamide
CID 143554363

Frequently Asked Questions

What is the IUPAC name of (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane?
The IUPAC name of (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane (CID 142922997) is (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane.
What is the SMILES notation for (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane?
The canonical SMILES for (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane is CC.CC.CN(/N=C(\CCO)C(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane?
The InChIKey is AOLNBENHIINJKR-BWSKXRJVSA-N. The full InChI is InChI=1S/C15H21F3N2O.2C2H6/c1-14(2,3)13(9-10-21)19-20(4)12-7-5-11(6-8-12)15(16,17)18;2*1-2/h5-8,21H,9-10H2,1-4H3;2*1-2H3/b19-13+;;.
What are the key properties of (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane?
(3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane has a molecular weight of 362.48 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,4-dimethyl-3-[methyl-[4-(trifluoromethyl)phenyl]hydrazinylidene]pentan-1-ol;ethane is sourced from PubChem (CID 142922997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).