5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine

C14H22N2 — CID 157169190

IUPAC5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC(CCN2CCC2)=CN1C(C)C
InChIInChI=1S/C14H22N2/c1-12(2)16-11-14(6-5-13(16)3)7-10-15-8-4-9-15/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyQHHCJJYONUMSIO-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.76
Rot. Bonds4

About 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine

5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine (PubChem CID 157169190) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine.

Molecular Properties

Compound Name5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine
PubChem CID157169190
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC(CCN2CCC2)=CN1C(C)C
InChIInChI=1S/C14H22N2/c1-12(2)16-11-14(6-5-13(16)3)7-10-15-8-4-9-15/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyQHHCJJYONUMSIO-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine?
The IUPAC name of 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine (CID 157169190) is 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine.
What is the SMILES notation for 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine?
The canonical SMILES for 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine is C=C1C=CC(CCN2CCC2)=CN1C(C)C.
What is the InChIKey of 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine?
The InChIKey is QHHCJJYONUMSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(2)16-11-14(6-5-13(16)3)7-10-15-8-4-9-15/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine?
5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine has a molecular weight of 218.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-1-yl)ethyl]-2-methylidene-1-propan-2-ylpyridine is sourced from PubChem (CID 157169190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).