3,4-dimethyl-2-morpholin-4-ylpentanenitrile

C11H20N2O — CID 130735318

IUPAC3,4-dimethyl-2-morpholin-4-ylpentanenitrile
SMILESCC(C)C(C)C(C#N)N1CCOCC1
InChIInChI=1S/C11H20N2O/c1-9(2)10(3)11(8-12)13-4-6-14-7-5-13/h9-11H,4-7H2,1-3H3
InChIKeyBMFWFUMFCDIQIU-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.50
Rot. Bonds3

About 3,4-dimethyl-2-morpholin-4-ylpentanenitrile

3,4-dimethyl-2-morpholin-4-ylpentanenitrile (PubChem CID 130735318) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3,4-dimethyl-2-morpholin-4-ylpentanenitrile.

Molecular Properties

Compound Name3,4-dimethyl-2-morpholin-4-ylpentanenitrile
PubChem CID130735318
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3,4-dimethyl-2-morpholin-4-ylpentanenitrile
SMILESCC(C)C(C)C(C#N)N1CCOCC1
InChIInChI=1S/C11H20N2O/c1-9(2)10(3)11(8-12)13-4-6-14-7-5-13/h9-11H,4-7H2,1-3H3
InChIKeyBMFWFUMFCDIQIU-UHFFFAOYSA-N
XLogP1.50
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dimethyl-2-morpholin-4-ylpentanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-morpholin-4-ylpentanenitrile?
The IUPAC name of 3,4-dimethyl-2-morpholin-4-ylpentanenitrile (CID 130735318) is 3,4-dimethyl-2-morpholin-4-ylpentanenitrile.
What is the SMILES notation for 3,4-dimethyl-2-morpholin-4-ylpentanenitrile?
The canonical SMILES for 3,4-dimethyl-2-morpholin-4-ylpentanenitrile is CC(C)C(C)C(C#N)N1CCOCC1.
What is the InChIKey of 3,4-dimethyl-2-morpholin-4-ylpentanenitrile?
The InChIKey is BMFWFUMFCDIQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)10(3)11(8-12)13-4-6-14-7-5-13/h9-11H,4-7H2,1-3H3.
What are the key properties of 3,4-dimethyl-2-morpholin-4-ylpentanenitrile?
3,4-dimethyl-2-morpholin-4-ylpentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-morpholin-4-ylpentanenitrile is sourced from PubChem (CID 130735318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).