4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline

C14H23N3 — CID 82620194

IUPAC4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CCNC2CCN)cc1
InChIInChI=1S/C14H23N3/c1-17(2)12-5-3-11(4-6-12)13-8-10-16-14(13)7-9-15/h3-6,13-14,16H,7-10,15H2,1-2H3
InChIKeyMHZIBVQIJUJGSE-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.55
Rot. Bonds4

About 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline

4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline (PubChem CID 82620194) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline
PubChem CID82620194
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CCNC2CCN)cc1
InChIInChI=1S/C14H23N3/c1-17(2)12-5-3-11(4-6-12)13-8-10-16-14(13)7-9-15/h3-6,13-14,16H,7-10,15H2,1-2H3
InChIKeyMHZIBVQIJUJGSE-UHFFFAOYSA-N
XLogP1.55
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline (CID 82620194) is 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2CCNC2CCN)cc1.
What is the InChIKey of 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline?
The InChIKey is MHZIBVQIJUJGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17(2)12-5-3-11(4-6-12)13-8-10-16-14(13)7-9-15/h3-6,13-14,16H,7-10,15H2,1-2H3.
What are the key properties of 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline?
4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline has a molecular weight of 233.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82620194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).