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

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Related Compounds

N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 55229589
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N-ethyl-N-(2-pyridin-4-ylethyl)azetidin-3-amine
CID 66183855
N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 82760083
N-methyl-N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylethanamine
CID 54943962
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine
CID 114628277
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
N-methyl-N-(pyridin-4-ylmethyl)azetidin-3-amine
CID 62786509
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370

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).