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

C14H25N3 — CID 142358553

IUPACN-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CCN(C2CNC2)C1
InChIInChI=1S/C14H25N3/c1-10(2)12(4)16-14-5-6-17(9-11(14)3)13-7-15-8-13/h10,13,15H,5-9H2,1-4H3/b16-12+
InChIKeyPKFBDNQBLZWRKW-FOWTUZBSSA-N
MW235.38 g/mol
LogP2.05
Rot. Bonds3

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

N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine (PubChem CID 142358553) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine
PubChem CID142358553
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CCN(C2CNC2)C1
InChIInChI=1S/C14H25N3/c1-10(2)12(4)16-14-5-6-17(9-11(14)3)13-7-15-8-13/h10,13,15H,5-9H2,1-4H3/b16-12+
InChIKeyPKFBDNQBLZWRKW-FOWTUZBSSA-N
XLogP2.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.05
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 with MolForge

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Related Compounds

N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane
CID 142358552
N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine
CID 142358558
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
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?
The IUPAC name of N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine (CID 142358553) is N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine.
What is the SMILES notation for N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine?
The canonical SMILES for N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine is 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?
The InChIKey is PKFBDNQBLZWRKW-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)12(4)16-14-5-6-17(9-11(14)3)13-7-15-8-13/h10,13,15H,5-9H2,1-4H3/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?
N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine has a molecular weight of 235.38 g/mol, XLogP of 2.05, 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 is sourced from PubChem (CID 142358553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).