2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine

C22H32ClN3 — CID 101272729

IUPAC2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine
SMILESClc1ccc(C(/C(=N/C2CCCCC2)N2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C22H32ClN3/c23-19-12-10-18(11-13-19)21(25-14-4-5-15-25)22(26-16-6-7-17-26)24-20-8-2-1-3-9-20/h10-13,20-21H,1-9,14-17H2/b24-22-
InChIKeyGHQZWQJEBUZDOE-GYHWCHFESA-N
MW373.97 g/mol
LogP5.30
Rot. Bonds4

About 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine

2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine (PubChem CID 101272729) has the molecular formula C22H32ClN3 and a molecular weight of 373.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine
PubChem CID101272729
Molecular FormulaC22H32ClN3
Molecular Weight373.97 g/mol
Exact Mass373.23
IUPAC Name2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine
SMILESClc1ccc(C(/C(=N/C2CCCCC2)N2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C22H32ClN3/c23-19-12-10-18(11-13-19)21(25-14-4-5-15-25)22(26-16-6-7-17-26)24-20-8-2-1-3-9-20/h10-13,20-21H,1-9,14-17H2/b24-22-
InChIKeyGHQZWQJEBUZDOE-GYHWCHFESA-N
XLogP5.30
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.97
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine (CID 101272729) is 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine is Clc1ccc(C(/C(=N/C2CCCCC2)N2CCCC2)N2CCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine?
The InChIKey is GHQZWQJEBUZDOE-GYHWCHFESA-N. The full InChI is InChI=1S/C22H32ClN3/c23-19-12-10-18(11-13-19)21(25-14-4-5-15-25)22(26-16-6-7-17-26)24-20-8-2-1-3-9-20/h10-13,20-21H,1-9,14-17H2/b24-22-.
What are the key properties of 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine?
2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine has a molecular weight of 373.97 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine is sourced from PubChem (CID 101272729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).