5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine

C12H18N2 — CID 130210286

IUPAC5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine
SMILESCc1cc(N2CCC2)cnc1C(C)C
InChIInChI=1S/C12H18N2/c1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14/h7-9H,4-6H2,1-3H3
InChIKeyVWGXYPRDFDPDSU-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.72
Rot. Bonds2

About 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine

5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine (PubChem CID 130210286) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine
PubChem CID130210286
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine
SMILESCc1cc(N2CCC2)cnc1C(C)C
InChIInChI=1S/C12H18N2/c1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14/h7-9H,4-6H2,1-3H3
InChIKeyVWGXYPRDFDPDSU-UHFFFAOYSA-N
XLogP2.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine?
The IUPAC name of 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine (CID 130210286) is 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine?
The canonical SMILES for 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine is Cc1cc(N2CCC2)cnc1C(C)C.
What is the InChIKey of 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine?
The InChIKey is VWGXYPRDFDPDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine?
5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine has a molecular weight of 190.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine is sourced from PubChem (CID 130210286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).