4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine

C11H20N2 — CID 107489783

IUPAC4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CCN1CCC1=CCNCC1
InChIInChI=1S/C11H20N2/c1-10-4-8-13(10)9-5-11-2-6-12-7-3-11/h2,10,12H,3-9H2,1H3
InChIKeyHAKAOSXWKTYMRH-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.39
Rot. Bonds3

About 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine

4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 107489783) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
PubChem CID107489783
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CCN1CCC1=CCNCC1
InChIInChI=1S/C11H20N2/c1-10-4-8-13(10)9-5-11-2-6-12-7-3-11/h2,10,12H,3-9H2,1H3
InChIKeyHAKAOSXWKTYMRH-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopenten-1-yl)ethyl]-2-methylpiperazine
CID 106172733
1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine
CID 82077738
1-[2-(cyclopenten-1-yl)ethyl]-N,2-dimethylpiperidin-4-amine
CID 106172504
5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane
CID 107489730
4-ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
7-methyl-1-(3-methylbutyl)-1,4-diazepane
CID 64870978
4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 107489895
2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
1-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpiperazine
CID 106172747
1-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylpiperazine
CID 106172766
3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride
CID 21076275
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
CID 107487775

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine (CID 107489783) is 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine is CC1CCN1CCC1=CCNCC1.
What is the InChIKey of 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is HAKAOSXWKTYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-4-8-13(10)9-5-11-2-6-12-7-3-11/h2,10,12H,3-9H2,1H3.
What are the key properties of 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine?
4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 180.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 107489783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).