2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine

C13H21N3 — CID 116679477

IUPAC2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCN(CCc1ccncc1)CCC1CNC1
InChIInChI=1S/C13H21N3/c1-16(9-5-13-10-15-11-13)8-4-12-2-6-14-7-3-12/h2-3,6-7,13,15H,4-5,8-11H2,1H3
InChIKeyHHJIZRWBTSPZKK-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.17
Rot. Bonds6

About 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine

2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 116679477) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID116679477
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCN(CCc1ccncc1)CCC1CNC1
InChIInChI=1S/C13H21N3/c1-16(9-5-13-10-15-11-13)8-4-12-2-6-14-7-3-12/h2-3,6-7,13,15H,4-5,8-11H2,1H3
InChIKeyHHJIZRWBTSPZKK-UHFFFAOYSA-N
XLogP1.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methylpyridine
CID 7970
Nornicotine
CID 91462
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
3-(Pyrrolidin-2-yl)pyridine
CID 412
3-Ethylpyridine
CID 10823
3-Pyridinemethanamine
CID 31018
Rivanicline
CID 5310967
3-Butylpyridine
CID 10874
(-)-Anatabine
CID 11388
4-Ethylpyridine
CID 10822
4-Pyridinemethanamine
CID 77317

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine (CID 116679477) is 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine is CN(CCc1ccncc1)CCC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is HHJIZRWBTSPZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16(9-5-13-10-15-11-13)8-4-12-2-6-14-7-3-12/h2-3,6-7,13,15H,4-5,8-11H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine?
2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 116679477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).