(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine

C16H17NO — CID 15259766

IUPAC(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine
SMILESC/C(=N\O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(17-18)16(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,18H,1-2H3/b17-13+
InChIKeyGAQYXTZDNPNJTO-GHRIWEEISA-N
MW239.32 g/mol
LogP3.84
Rot. Bonds3

About (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine

(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine (PubChem CID 15259766) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine
PubChem CID15259766
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine
SMILESC/C(=N\O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(17-18)16(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,18H,1-2H3/b17-13+
InChIKeyGAQYXTZDNPNJTO-GHRIWEEISA-N
XLogP3.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine
CID 10514054
(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
CID 86338935
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
(NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine
CID 23264843
2,2-diphenylpentan-3-one
CID 70793023
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
N-(2-phenyl-2-silylpentan-3-ylidene)hydroxylamine
CID 173031990
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(1-bromo-1-phenylethyl)benzene
CID 19019197
tert-butylbenzene;molecular nitrogen
CID 146464751

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine (CID 15259766) is (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine is C/C(=N\O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine?
The InChIKey is GAQYXTZDNPNJTO-GHRIWEEISA-N. The full InChI is InChI=1S/C16H17NO/c1-13(17-18)16(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,18H,1-2H3/b17-13+.
What are the key properties of (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine?
(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine has a molecular weight of 239.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 15259766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).