N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine

C10H13N3 — CID 123848006

IUPACN'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine
SMILES[H]/N=C(\C/C=N/C)c1cccnc1C
InChIInChI=1S/C10H13N3/c1-8-9(4-3-6-13-8)10(11)5-7-12-2/h3-4,6-7,11H,5H2,1-2H3/b11-10+,12-7+
InChIKeyKFDOBWYKXOHGRT-MLKCCRLUSA-N
MW175.24 g/mol
LogP1.85
Rot. Bonds3

About N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine

N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine (PubChem CID 123848006) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine.

Molecular Properties

Compound NameN'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine
PubChem CID123848006
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC NameN'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine
SMILES[H]/N=C(\C/C=N/C)c1cccnc1C
InChIInChI=1S/C10H13N3/c1-8-9(4-3-6-13-8)10(11)5-7-12-2/h3-4,6-7,11H,5H2,1-2H3/b11-10+,12-7+
InChIKeyKFDOBWYKXOHGRT-MLKCCRLUSA-N
XLogP1.85
TPSA49.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methyl-3-pyridinyl)butan-1-imine
CID 167446890
2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine
CID 142523864
N'-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-pyrimidin-2-ylpropane-1,3-diimine
CID 90720982
ethyl 2-(2-methyl-3-pyridinyl)ethanimidate
CID 19099344
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
(Z)-2-(2-methyl-3-pyridinyl)pent-1-en-1-amine
CID 142342701
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
2-methyl-3-[(Z)-4-propylhept-2-en-3-yl]pyridine
CID 142336117
1-(2-methyl-3-pyridinyl)but-3-yn-1-one
CID 105076440
4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 82402283

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine?
The IUPAC name of N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine (CID 123848006) is N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine.
What is the SMILES notation for N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine?
The canonical SMILES for N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine is [H]/N=C(\C/C=N/C)c1cccnc1C.
What is the InChIKey of N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine?
The InChIKey is KFDOBWYKXOHGRT-MLKCCRLUSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-9(4-3-6-13-8)10(11)5-7-12-2/h3-4,6-7,11H,5H2,1-2H3/b11-10+,12-7+.
What are the key properties of N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine?
N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine has a molecular weight of 175.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine is sourced from PubChem (CID 123848006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).