4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine

C10H16N2 — CID 175887581

IUPAC4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine
SMILESCC1C=C(CN2CCC2)C=CN1
InChIInChI=1S/C10H16N2/c1-9-7-10(3-4-11-9)8-12-5-2-6-12/h3-4,7,9,11H,2,5-6,8H2,1H3
InChIKeyCOCYJFIJQLLLBQ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.12
Rot. Bonds2

About 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine

4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine (PubChem CID 175887581) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine
PubChem CID175887581
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine
SMILESCC1C=C(CN2CCC2)C=CN1
InChIInChI=1S/C10H16N2/c1-9-7-10(3-4-11-9)8-12-5-2-6-12/h3-4,7,9,11H,2,5-6,8H2,1H3
InChIKeyCOCYJFIJQLLLBQ-UHFFFAOYSA-N
XLogP1.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(2,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]piperidine
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4-benzyl-11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
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1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
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1-[[4-(chloromethyl)phenyl]methyl]azetidine
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2-(azetidin-1-ylmethyl)pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine?
The IUPAC name of 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine (CID 175887581) is 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine is CC1C=C(CN2CCC2)C=CN1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine?
The InChIKey is COCYJFIJQLLLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-9-7-10(3-4-11-9)8-12-5-2-6-12/h3-4,7,9,11H,2,5-6,8H2,1H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine?
4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine is sourced from PubChem (CID 175887581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).