3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine

C15H27N3 — CID 142358662

IUPAC3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CCN(C2CN(C)C2)C1
InChIInChI=1S/C15H27N3/c1-11(2)13(4)16-15-6-7-18(8-12(15)3)14-9-17(5)10-14/h11,14H,6-10H2,1-5H3/b16-13+
InChIKeyYLNCWRCHNHDTAM-DTQAZKPQSA-N
MW249.40 g/mol
LogP2.40
Rot. Bonds3

About 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine

3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine (PubChem CID 142358662) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine
PubChem CID142358662
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CCN(C2CN(C)C2)C1
InChIInChI=1S/C15H27N3/c1-11(2)13(4)16-15-6-7-18(8-12(15)3)14-9-17(5)10-14/h11,14H,6-10H2,1-5H3/b16-13+
InChIKeyYLNCWRCHNHDTAM-DTQAZKPQSA-N
XLogP2.40
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine?
The IUPAC name of 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine (CID 142358662) is 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine is CC1=C(/N=C(\C)C(C)C)CCN(C2CN(C)C2)C1.
What is the InChIKey of 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine?
The InChIKey is YLNCWRCHNHDTAM-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(2)13(4)16-15-6-7-18(8-12(15)3)14-9-17(5)10-14/h11,14H,6-10H2,1-5H3/b16-13+.
What are the key properties of 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine?
3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine has a molecular weight of 249.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine is sourced from PubChem (CID 142358662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).