4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline

C15H19N3 — CID 59419619

IUPAC4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(CCN)cn2)cc1
InChIInChI=1S/C15H19N3/c1-18(2)14-6-4-13(5-7-14)15-8-3-12(9-10-16)11-17-15/h3-8,11H,9-10,16H2,1-2H3
InChIKeyKMZOLZUVEJWAJR-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.32
Rot. Bonds4

About 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline

4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline (PubChem CID 59419619) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline
PubChem CID59419619
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(CCN)cn2)cc1
InChIInChI=1S/C15H19N3/c1-18(2)14-6-4-13(5-7-14)15-8-3-12(9-10-16)11-17-15/h3-8,11H,9-10,16H2,1-2H3
InChIKeyKMZOLZUVEJWAJR-UHFFFAOYSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline (CID 59419619) is 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline is CN(C)c1ccc(-c2ccc(CCN)cn2)cc1.
What is the InChIKey of 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline?
The InChIKey is KMZOLZUVEJWAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18(2)14-6-4-13(5-7-14)15-8-3-12(9-10-16)11-17-15/h3-8,11H,9-10,16H2,1-2H3.
What are the key properties of 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline?
4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline has a molecular weight of 241.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline is sourced from PubChem (CID 59419619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).