N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine

C24H32N2O — CID 88690191

IUPACN-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine
SMILESON=C(CCCCc1ccccc1CCCN1CCCC1)c1ccccc1
InChIInChI=1S/C24H32N2O/c27-25-24(23-14-2-1-3-15-23)17-7-6-13-21-11-4-5-12-22(21)16-10-20-26-18-8-9-19-26/h1-5,11-12,14-15,27H,6-10,13,16-20H2
InChIKeyUCTICADSAHUZLH-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.31
Rot. Bonds10

About N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine

N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine (PubChem CID 88690191) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine
PubChem CID88690191
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine
SMILESON=C(CCCCc1ccccc1CCCN1CCCC1)c1ccccc1
InChIInChI=1S/C24H32N2O/c27-25-24(23-14-2-1-3-15-23)17-7-6-13-21-11-4-5-12-22(21)16-10-20-26-18-8-9-19-26/h1-5,11-12,14-15,27H,6-10,13,16-20H2
InChIKeyUCTICADSAHUZLH-UHFFFAOYSA-N
XLogP5.31
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.31
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-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine
CID 88690472
1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
CID 173416034
N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine
CID 88690085
4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
CID 173415956
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
CID 173415993
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
N-(1-phenylhex-5-ynylidene)hydroxylamine
CID 131845523
N-[1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
CID 73125691

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine?
The IUPAC name of N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine (CID 88690191) is N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine.
What is the SMILES notation for N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine?
The canonical SMILES for N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine is ON=C(CCCCc1ccccc1CCCN1CCCC1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine?
The InChIKey is UCTICADSAHUZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c27-25-24(23-14-2-1-3-15-23)17-7-6-13-21-11-4-5-12-22(21)16-10-20-26-18-8-9-19-26/h1-5,11-12,14-15,27H,6-10,13,16-20H2.
What are the key properties of N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine?
N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine has a molecular weight of 364.53 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine is sourced from PubChem (CID 88690191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).