3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile

C14H19N3O — CID 115248256

IUPAC3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)c1ccncc1
InChIInChI=1S/C14H19N3O/c1-13(2,12-3-5-16-6-4-12)8-17-9-14(7-15)10-18-11-14/h3-6,17H,8-11H2,1-2H3
InChIKeyIOQAYSJIZKHUTL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.49
Rot. Bonds5

About 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile

3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248256) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248256
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)c1ccncc1
InChIInChI=1S/C14H19N3O/c1-13(2,12-3-5-16-6-4-12)8-17-9-14(7-15)10-18-11-14/h3-6,17H,8-11H2,1-2H3
InChIKeyIOQAYSJIZKHUTL-UHFFFAOYSA-N
XLogP1.49
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile 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

3-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]oxetane-3-carbonitrile
CID 115248242
N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
CID 115226456
3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248258
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115249662
3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248124
2-methyl-N-(morpholin-3-ylmethyl)-2-pyridin-4-ylpropan-1-amine
CID 115238222
3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine
CID 115200944
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115249649
1-[[[2-(5-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242656
4-amino-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]benzonitrile
CID 115127355
3-[[2-(4-propan-2-ylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248125
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile (CID 115248256) is 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile is CC(C)(CNCC1(C#N)COC1)c1ccncc1.
What is the InChIKey of 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is IOQAYSJIZKHUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-13(2,12-3-5-16-6-4-12)8-17-9-14(7-15)10-18-11-14/h3-6,17H,8-11H2,1-2H3.
What are the key properties of 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile?
3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).