4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

C14H21N3 — CID 20829232

IUPAC4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1ccc(N2CCC(N3CCCC3)C2)cc1
InChIInChI=1S/C14H21N3/c15-12-3-5-13(6-4-12)17-10-7-14(11-17)16-8-1-2-9-16/h3-6,14H,1-2,7-11,15H2
InChIKeyIHPBGOOYEZPGHW-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.94
Rot. Bonds2

About 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 20829232) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID20829232
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1ccc(N2CCC(N3CCCC3)C2)cc1
InChIInChI=1S/C14H21N3/c15-12-3-5-13(6-4-12)17-10-7-14(11-17)16-8-1-2-9-16/h3-6,14H,1-2,7-11,15H2
InChIKeyIHPBGOOYEZPGHW-UHFFFAOYSA-N
XLogP1.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
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 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (CID 20829232) is 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is Nc1ccc(N2CCC(N3CCCC3)C2)cc1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is IHPBGOOYEZPGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-12-3-5-13(6-4-12)17-10-7-14(11-17)16-8-1-2-9-16/h3-6,14H,1-2,7-11,15H2.
What are the key properties of 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 231.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 20829232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).