2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane

C33H58FNO2 — CID 144678803

IUPAC2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane
SMILESCC.CC.CCCC.CCCCC(C=O)N=C(c1ccccc1)c1ccccc1.CF.COC(C)(C)C
InChIInChI=1S/C19H21NO.C5H12O.C4H10.2C2H6.CH3F/c1-2-3-14-18(15-21)20-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-5(2,3)6-4;1-3-4-2;3*1-2/h4-13,15,18H,2-3,14H2,1H3;1-4H3;3-4H2,1-2H3;2*1-2H3;1H3
InChIKeyVXYSNVNYBCPHRT-UHFFFAOYSA-N
MW519.83 g/mol
LogP10.16
Rot. Bonds8

About 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane

2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane (PubChem CID 144678803) has the molecular formula C33H58FNO2 and a molecular weight of 519.83 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane
PubChem CID144678803
Molecular FormulaC33H58FNO2
Molecular Weight519.83 g/mol
Exact Mass519.45
IUPAC Name2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane
SMILESCC.CC.CCCC.CCCCC(C=O)N=C(c1ccccc1)c1ccccc1.CF.COC(C)(C)C
InChIInChI=1S/C19H21NO.C5H12O.C4H10.2C2H6.CH3F/c1-2-3-14-18(15-21)20-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-5(2,3)6-4;1-3-4-2;3*1-2/h4-13,15,18H,2-3,14H2,1H3;1-4H3;3-4H2,1-2H3;2*1-2H3;1H3
InChIKeyVXYSNVNYBCPHRT-UHFFFAOYSA-N
XLogP10.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.83
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-(benzhydrylideneamino)hexanoate
CID 102116067
2-(benzhydrylideneamino)pent-4-ynal
CID 88966855
2-(benzhydrylideneamino)-4-fluoro-4-methylheptanoic acid
CID 118879517
tert-butyl (2S)-2-(benzhydrylideneamino)-4-methoxybutanoate
CID 125473245
ethyl 2-(benzhydrylideneamino)pentanoate
CID 58898498
1-O-butyl 5-O-methyl 2-(benzhydrylideneamino)pentanedioate
CID 123854557
benzoic acid;ethyl 2-hydroxyhexanoate;formic acid
CID 141252032
tert-butyl (2S)-2-(benzhydrylideneamino)hex-5-enoate
CID 58911908
2-fluoro-1-phenylhexan-1-one
CID 165359070
benzoic acid;2-ethyl-N,N-dimethylhexan-1-amine
CID 175078681
2,2,4,4-tetramethylpentan-3-yl (2R)-2-(benzhydrylideneamino)-5-oxoheptanoate
CID 102262638
4-ethyl-2-[methoxy(phenyl)methylidene]octanoic acid
CID 150249445

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane?
The IUPAC name of 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane (CID 144678803) is 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane.
What is the SMILES notation for 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane?
The canonical SMILES for 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane is CC.CC.CCCC.CCCCC(C=O)N=C(c1ccccc1)c1ccccc1.CF.COC(C)(C)C.
What is the InChIKey of 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane?
The InChIKey is VXYSNVNYBCPHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.C5H12O.C4H10.2C2H6.CH3F/c1-2-3-14-18(15-21)20-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-5(2,3)6-4;1-3-4-2;3*1-2/h4-13,15,18H,2-3,14H2,1H3;1-4H3;3-4H2,1-2H3;2*1-2H3;1H3.
What are the key properties of 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane?
2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane has a molecular weight of 519.83 g/mol, XLogP of 10.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)hexanal;butane;ethane;fluoromethane;2-methoxy-2-methylpropane is sourced from PubChem (CID 144678803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).