2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile

C11H14N2O — CID 43174893

IUPAC2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile
SMILESCC(C#N)COCCc1ccccn1
InChIInChI=1S/C11H14N2O/c1-10(8-12)9-14-7-5-11-4-2-3-6-13-11/h2-4,6,10H,5,7,9H2,1H3
InChIKeyGRFSOQUZCNBMIC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile

2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile (PubChem CID 43174893) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile
PubChem CID43174893
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile
SMILESCC(C#N)COCCc1ccccn1
InChIInChI=1S/C11H14N2O/c1-10(8-12)9-14-7-5-11-4-2-3-6-13-11/h2-4,6,10H,5,7,9H2,1H3
InChIKeyGRFSOQUZCNBMIC-UHFFFAOYSA-N
XLogP1.80
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile 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

2-pyridin-2-ylethyl cyanate
CID 21195134
2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
CID 43368929
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine
CID 19697050
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
3-(2-pyridin-2-ylethoxy)pentanenitrile
CID 43175139
N-propan-2-yl-5-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 62455568
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
2,2-dimethyl-N-propan-2-yl-3-(2-pyridin-2-ylethoxy)propan-1-amine
CID 79626684
1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 62269338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile?
The IUPAC name of 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile (CID 43174893) is 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile.
What is the SMILES notation for 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile?
The canonical SMILES for 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile is CC(C#N)COCCc1ccccn1.
What is the InChIKey of 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile?
The InChIKey is GRFSOQUZCNBMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-10(8-12)9-14-7-5-11-4-2-3-6-13-11/h2-4,6,10H,5,7,9H2,1H3.
What are the key properties of 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile?
2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile is sourced from PubChem (CID 43174893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).