1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine

C24H32N2O — CID 173416034

IUPAC1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
SMILESc1ccc(CCCCC(=NOCCCN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H32N2O/c1-3-12-22(13-4-1)14-7-8-17-24(23-15-5-2-6-16-23)25-27-21-11-20-26-18-9-10-19-26/h1-6,12-13,15-16H,7-11,14,17-21H2
InChIKeyLXGDVBWQIVVIPA-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.31
Rot. Bonds11

About 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine

1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine (PubChem CID 173416034) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine.

Molecular Properties

Compound Name1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
PubChem CID173416034
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
SMILESc1ccc(CCCCC(=NOCCCN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H32N2O/c1-3-12-22(13-4-1)14-7-8-17-24(23-15-5-2-6-16-23)25-27-21-11-20-26-18-9-10-19-26/h1-6,12-13,15-16H,7-11,14,17-21H2
InChIKeyLXGDVBWQIVVIPA-UHFFFAOYSA-N
XLogP5.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.31
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
CID 173415956
1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
CID 173415993
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine
CID 88690191
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
(3R)-1-[2-[(Z)-1-phenyloctylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 86750440
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
(E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine
CID 18993354
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine?
The IUPAC name of 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine (CID 173416034) is 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine.
What is the SMILES notation for 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine?
The canonical SMILES for 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine is c1ccc(CCCCC(=NOCCCN2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine?
The InChIKey is LXGDVBWQIVVIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-3-12-22(13-4-1)14-7-8-17-24(23-15-5-2-6-16-23)25-27-21-11-20-26-18-9-10-19-26/h1-6,12-13,15-16H,7-11,14,17-21H2.
What are the key properties of 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine?
1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine has a molecular weight of 364.53 g/mol, XLogP of 5.31, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine is sourced from PubChem (CID 173416034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).