N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine

C30H40N6 — CID 101464856

IUPACN,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine
SMILESC(/C=N/c1c(N2CCCC2)cccc1N1CCCC1)=N\c1c(N2CCCC2)cccc1N1CCCC1
InChIInChI=1S/C30H40N6/c1-2-18-33(17-1)25-11-9-12-26(34-19-3-4-20-34)29(25)31-15-16-32-30-27(35-21-5-6-22-35)13-10-14-28(30)36-23-7-8-24-36/h9-16H,1-8,17-24H2/b31-15+,32-16+
InChIKeyWJZHWTGSTHKJJV-IHXWQEJPSA-N
MW484.69 g/mol
LogP6.19
Rot. Bonds7

About N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine

N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine (PubChem CID 101464856) has the molecular formula C30H40N6 and a molecular weight of 484.69 g/mol. Its IUPAC name is N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine
PubChem CID101464856
Molecular FormulaC30H40N6
Molecular Weight484.69 g/mol
Exact Mass484.33
IUPAC NameN,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine
SMILESC(/C=N/c1c(N2CCCC2)cccc1N1CCCC1)=N\c1c(N2CCCC2)cccc1N1CCCC1
InChIInChI=1S/C30H40N6/c1-2-18-33(17-1)25-11-9-12-26(34-19-3-4-20-34)29(25)31-15-16-32-30-27(35-21-5-6-22-35)13-10-14-28(30)36-23-7-8-24-36/h9-16H,1-8,17-24H2/b31-15+,32-16+
InChIKeyWJZHWTGSTHKJJV-IHXWQEJPSA-N
XLogP6.19
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.69
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 138533599
7-pyrrolidin-1-yl-2,3-dihydroinden-1-one
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1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
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2-[(2-piperidin-1-ylphenyl)iminomethyl]phenol
CID 2356386
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327
2-methyl-7-pyrrolidin-1-yl-2,3-dihydro-1H-indole
CID 105454725
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
(2-piperidin-1-ylphenyl)boronic acid
CID 4192666
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
1-anthracen-1-ylpiperidine
CID 87717909
2-(azepan-1-yl)benzenesulfinic acid
CID 174570733

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine?
The IUPAC name of N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine (CID 101464856) is N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine?
The canonical SMILES for N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine is C(/C=N/c1c(N2CCCC2)cccc1N1CCCC1)=N\c1c(N2CCCC2)cccc1N1CCCC1.
What is the InChIKey of N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine?
The InChIKey is WJZHWTGSTHKJJV-IHXWQEJPSA-N. The full InChI is InChI=1S/C30H40N6/c1-2-18-33(17-1)25-11-9-12-26(34-19-3-4-20-34)29(25)31-15-16-32-30-27(35-21-5-6-22-35)13-10-14-28(30)36-23-7-8-24-36/h9-16H,1-8,17-24H2/b31-15+,32-16+.
What are the key properties of N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine?
N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine has a molecular weight of 484.69 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-dipyrrolidin-1-ylphenyl)ethane-1,2-diimine is sourced from PubChem (CID 101464856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).