azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine

C10H15N3 — CID 142175048

IUPACazetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine
SMILES[H]/N=C(/C1=CC(C)=CCN1)N1CCC1
InChIInChI=1S/C10H15N3/c1-8-3-4-12-9(7-8)10(11)13-5-2-6-13/h3,7,11-12H,2,4-6H2,1H3/b11-10-
InChIKeyZEZSLBAODJKBKB-KHPPLWFESA-N
MW177.25 g/mol
LogP1.10
Rot. Bonds1

About azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine

azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine (PubChem CID 142175048) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine.

Molecular Properties

Compound Nameazetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine
PubChem CID142175048
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Nameazetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine
SMILES[H]/N=C(/C1=CC(C)=CCN1)N1CCC1
InChIInChI=1S/C10H15N3/c1-8-3-4-12-9(7-8)10(11)13-5-2-6-13/h3,7,11-12H,2,4-6H2,1H3/b11-10-
InChIKeyZEZSLBAODJKBKB-KHPPLWFESA-N
XLogP1.10
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethyl-1,2-dihydropyridine-6-carboximidamide
CID 141837294
N,N,4-trimethyl-1,2-dihydropyridine-6-carboximidamide
CID 142175159

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine?
The IUPAC name of azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine (CID 142175048) is azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine.
What is the SMILES notation for azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine?
The canonical SMILES for azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine is [H]/N=C(/C1=CC(C)=CCN1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine?
The InChIKey is ZEZSLBAODJKBKB-KHPPLWFESA-N. The full InChI is InChI=1S/C10H15N3/c1-8-3-4-12-9(7-8)10(11)13-5-2-6-13/h3,7,11-12H,2,4-6H2,1H3/b11-10-.
What are the key properties of azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine?
azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine has a molecular weight of 177.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4-methyl-1,2-dihydropyridin-6-yl)methanimine is sourced from PubChem (CID 142175048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).