N-(1,4-diphenylpentan-3-ylidene)hydroxylamine

C17H19NO — CID 71320973

IUPACN-(1,4-diphenylpentan-3-ylidene)hydroxylamine
SMILESCC(C(CCc1ccccc1)=NO)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14(16-10-6-3-7-11-16)17(18-19)13-12-15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3
InChIKeyGWJPMSLLKQTNLV-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.25
Rot. Bonds5

About N-(1,4-diphenylpentan-3-ylidene)hydroxylamine

N-(1,4-diphenylpentan-3-ylidene)hydroxylamine (PubChem CID 71320973) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(1,4-diphenylpentan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1,4-diphenylpentan-3-ylidene)hydroxylamine
PubChem CID71320973
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-(1,4-diphenylpentan-3-ylidene)hydroxylamine
SMILESCC(C(CCc1ccccc1)=NO)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14(16-10-6-3-7-11-16)17(18-19)13-12-15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3
InChIKeyGWJPMSLLKQTNLV-UHFFFAOYSA-N
XLogP4.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.25
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

N-hydroxy-2-phenylpropanimidoyl chloride
CID 75091043
(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
(NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine
CID 177423869
2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid
CID 67823371
4-bromo-1-phenylpentan-3-one
CID 121216753
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
CID 55102577
3-phenyl-N,N'-di(propan-2-yl)propanimidamide
CID 102264756
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
(NZ)-N-[1-(4-methyl-1,2,5-thiadiazol-3-yl)-3-phenylpropylidene]hydroxylamine
CID 136900433
2-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]phenol;hydrate
CID 137291939

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diphenylpentan-3-ylidene)hydroxylamine?
The IUPAC name of N-(1,4-diphenylpentan-3-ylidene)hydroxylamine (CID 71320973) is N-(1,4-diphenylpentan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(1,4-diphenylpentan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(1,4-diphenylpentan-3-ylidene)hydroxylamine is CC(C(CCc1ccccc1)=NO)c1ccccc1.
What is the InChIKey of N-(1,4-diphenylpentan-3-ylidene)hydroxylamine?
The InChIKey is GWJPMSLLKQTNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(16-10-6-3-7-11-16)17(18-19)13-12-15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3.
What are the key properties of N-(1,4-diphenylpentan-3-ylidene)hydroxylamine?
N-(1,4-diphenylpentan-3-ylidene)hydroxylamine has a molecular weight of 253.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diphenylpentan-3-ylidene)hydroxylamine is sourced from PubChem (CID 71320973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).