pyrrolidine;4-pyrrolidin-1-ylaniline

C14H23N3 — CID 70136555

IUPACpyrrolidine;4-pyrrolidin-1-ylaniline
SMILESC1CCNC1.Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C10H14N2.C4H9N/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;1-2-4-5-3-1/h3-6H,1-2,7-8,11H2;5H,1-4H2
InChIKeyCEMNOMMQHUOFCM-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.24
Rot. Bonds1

About pyrrolidine;4-pyrrolidin-1-ylaniline

pyrrolidine;4-pyrrolidin-1-ylaniline (PubChem CID 70136555) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is pyrrolidine;4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Namepyrrolidine;4-pyrrolidin-1-ylaniline
PubChem CID70136555
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Namepyrrolidine;4-pyrrolidin-1-ylaniline
SMILESC1CCNC1.Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C10H14N2.C4H9N/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;1-2-4-5-3-1/h3-6H,1-2,7-8,11H2;5H,1-4H2
InChIKeyCEMNOMMQHUOFCM-UHFFFAOYSA-N
XLogP2.24
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine;4-pyrrolidin-1-ylaniline?
The IUPAC name of pyrrolidine;4-pyrrolidin-1-ylaniline (CID 70136555) is pyrrolidine;4-pyrrolidin-1-ylaniline.
What is the SMILES notation for pyrrolidine;4-pyrrolidin-1-ylaniline?
The canonical SMILES for pyrrolidine;4-pyrrolidin-1-ylaniline is C1CCNC1.Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of pyrrolidine;4-pyrrolidin-1-ylaniline?
The InChIKey is CEMNOMMQHUOFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C4H9N/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;1-2-4-5-3-1/h3-6H,1-2,7-8,11H2;5H,1-4H2.
What are the key properties of pyrrolidine;4-pyrrolidin-1-ylaniline?
pyrrolidine;4-pyrrolidin-1-ylaniline has a molecular weight of 233.36 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 70136555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).