N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine

C23H32N2O — CID 88690085

IUPACN-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine
SMILESCCN(CC)CCc1ccccc1CCCCC(=NO)c1ccccc1
InChIInChI=1S/C23H32N2O/c1-3-25(4-2)19-18-21-14-9-8-12-20(21)13-10-11-17-23(24-26)22-15-6-5-7-16-22/h5-9,12,14-16,26H,3-4,10-11,13,17-19H2,1-2H3
InChIKeyABTYUCSKIHXDJF-UHFFFAOYSA-N
MW352.52 g/mol
LogP5.16
Rot. Bonds11

About N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine

N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine (PubChem CID 88690085) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine
PubChem CID88690085
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine
SMILESCCN(CC)CCc1ccccc1CCCCC(=NO)c1ccccc1
InChIInChI=1S/C23H32N2O/c1-3-25(4-2)19-18-21-14-9-8-12-20(21)13-10-11-17-23(24-26)22-15-6-5-7-16-22/h5-9,12,14-16,26H,3-4,10-11,13,17-19H2,1-2H3
InChIKeyABTYUCSKIHXDJF-UHFFFAOYSA-N
XLogP5.16
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine
CID 88690466
N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine
CID 88690378
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine
CID 88690191
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
(NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine
CID 5493117
N,N-diethyl-6-(2-methylphenyl)hexan-1-amine;hydrate
CID 173448140
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
3-[2-(2-chloro-1,2-diphenylethenyl)phenyl]-N,N-diethylpropan-1-amine
CID 173312188

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine?
The IUPAC name of N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine (CID 88690085) is N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine.
What is the SMILES notation for N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine?
The canonical SMILES for N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine is CCN(CC)CCc1ccccc1CCCCC(=NO)c1ccccc1.
What is the InChIKey of N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine?
The InChIKey is ABTYUCSKIHXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-3-25(4-2)19-18-21-14-9-8-12-20(21)13-10-11-17-23(24-26)22-15-6-5-7-16-22/h5-9,12,14-16,26H,3-4,10-11,13,17-19H2,1-2H3.
What are the key properties of N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine?
N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine has a molecular weight of 352.52 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine is sourced from PubChem (CID 88690085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).