5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine

C14H22N2 — CID 157256734

IUPAC5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC(CC2CN(C)C2)=CN1C(C)C
InChIInChI=1S/C14H22N2/c1-11(2)16-10-13(6-5-12(16)3)7-14-8-15(4)9-14/h5-6,10-11,14H,3,7-9H2,1-2,4H3
InChIKeyAAOCTIBYLLBFMA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.62
Rot. Bonds3

About 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine

5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine (PubChem CID 157256734) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine.

Molecular Properties

Compound Name5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine
PubChem CID157256734
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC(CC2CN(C)C2)=CN1C(C)C
InChIInChI=1S/C14H22N2/c1-11(2)16-10-13(6-5-12(16)3)7-14-8-15(4)9-14/h5-6,10-11,14H,3,7-9H2,1-2,4H3
InChIKeyAAOCTIBYLLBFMA-UHFFFAOYSA-N
XLogP2.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(Azetidin-1-yl)ethyl]-1-(2,5-dimethylhex-1-en-3-yl)-2-methylidene-4-(trifluoromethyl)pyridine
CID 156728405
5-[(1-Fluoroazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine
CID 157256731
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine
CID 157256735
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-4-methyl-2-methylidene-1-propan-2-ylpyridine
CID 157256737
4-[(3-Fluoro-1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine
CID 160499774
(1Z,3E)-2-[2-(azetidin-1-yl)ethyl]-N-methyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 163260391
4-(1,2-dimethylpiperidin-4-yl)-1,2-dimethyl-2H-pyridine
CID 70559433
1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 71026731
1-ethyl-2,3-di(propan-2-yl)-2H-pyridine
CID 89387783
1-propan-2-yl-3-propyl-2H-pyridine
CID 90824371
(3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine
CID 118612512
2-Methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine
CID 122592118

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine?
The IUPAC name of 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine (CID 157256734) is 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine.
What is the SMILES notation for 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine?
The canonical SMILES for 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine is C=C1C=CC(CC2CN(C)C2)=CN1C(C)C.
What is the InChIKey of 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine?
The InChIKey is AAOCTIBYLLBFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)16-10-13(6-5-12(16)3)7-14-8-15(4)9-14/h5-6,10-11,14H,3,7-9H2,1-2,4H3.
What are the key properties of 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine?
5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine has a molecular weight of 218.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine is sourced from PubChem (CID 157256734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).