2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine

C12H20N2 — CID 122592118

IUPAC2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine
SMILESCCCC1CN(C2=CNC(C)C=C2)C1
InChIInChI=1S/C12H20N2/c1-3-4-11-8-14(9-11)12-6-5-10(2)13-7-12/h5-7,10-11,13H,3-4,8-9H2,1-2H3
InChIKeyXHLXPOWZABTVDR-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine

2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine (PubChem CID 122592118) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine
PubChem CID122592118
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine
SMILESCCCC1CN(C2=CNC(C)C=C2)C1
InChIInChI=1S/C12H20N2/c1-3-4-11-8-14(9-11)12-6-5-10(2)13-7-12/h5-7,10-11,13H,3-4,8-9H2,1-2H3
InChIKeyXHLXPOWZABTVDR-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine?
The IUPAC name of 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine (CID 122592118) is 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine?
The canonical SMILES for 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine is CCCC1CN(C2=CNC(C)C=C2)C1.
What is the InChIKey of 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine?
The InChIKey is XHLXPOWZABTVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-4-11-8-14(9-11)12-6-5-10(2)13-7-12/h5-7,10-11,13H,3-4,8-9H2,1-2H3.
What are the key properties of 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine?
2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine has a molecular weight of 192.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-propylazetidin-1-yl)-1,2-dihydropyridine is sourced from PubChem (CID 122592118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).