N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane

C16H31N3 — CID 142358552

IUPACN-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane
SMILESCC.CC1=C(/N=C(\C)C(C)C)CCN(C2CNC2)C1
InChIInChI=1S/C14H25N3.C2H6/c1-10(2)12(4)16-14-5-6-17(9-11(14)3)13-7-15-8-13;1-2/h10,13,15H,5-9H2,1-4H3;1-2H3/b16-12+;
InChIKeyDMDGFLIOGGPGLW-CLNHMMGSSA-N
MW265.44 g/mol
LogP3.08
Rot. Bonds3

About N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane

N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane (PubChem CID 142358552) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane
PubChem CID142358552
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane
SMILESCC.CC1=C(/N=C(\C)C(C)C)CCN(C2CNC2)C1
InChIInChI=1S/C14H25N3.C2H6/c1-10(2)12(4)16-14-5-6-17(9-11(14)3)13-7-15-8-13;1-2/h10,13,15H,5-9H2,1-4H3;1-2H3/b16-12+;
InChIKeyDMDGFLIOGGPGLW-CLNHMMGSSA-N
XLogP3.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane with MolForge

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Related Compounds

ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358571
3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358572
ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine
CID 142358661
N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine
CID 142358553
3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine
CID 142358662

Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane?
The IUPAC name of N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane (CID 142358552) is N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane.
What is the SMILES notation for N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane?
The canonical SMILES for N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane is CC.CC1=C(/N=C(\C)C(C)C)CCN(C2CNC2)C1.
What is the InChIKey of N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane?
The InChIKey is DMDGFLIOGGPGLW-CLNHMMGSSA-N. The full InChI is InChI=1S/C14H25N3.C2H6/c1-10(2)12(4)16-14-5-6-17(9-11(14)3)13-7-15-8-13;1-2/h10,13,15H,5-9H2,1-4H3;1-2H3/b16-12+;.
What are the key properties of N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane?
N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane has a molecular weight of 265.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane is sourced from PubChem (CID 142358552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).