(2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile

C12H15N3 — CID 76764151

IUPAC(2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile
SMILESC[C@H](C#N)/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C12H15N3/c1-10(8-13)14-9-11-4-6-12(7-5-11)15(2)3/h4-7,9-10H,1-3H3/b14-9+/t10-/m1/s1
InChIKeyLAPMKGHXWMSLPL-GMROUXNLSA-N
MW201.27 g/mol
LogP2.08
Rot. Bonds3

About (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile

(2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile (PubChem CID 76764151) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile.

Molecular Properties

Compound Name(2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile
PubChem CID76764151
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile
SMILESC[C@H](C#N)/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C12H15N3/c1-10(8-13)14-9-11-4-6-12(7-5-11)15(2)3/h4-7,9-10H,1-3H3/b14-9+/t10-/m1/s1
InChIKeyLAPMKGHXWMSLPL-GMROUXNLSA-N
XLogP2.08
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile 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 (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile?
The IUPAC name of (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile (CID 76764151) is (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile.
What is the SMILES notation for (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile?
The canonical SMILES for (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile is C[C@H](C#N)/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile?
The InChIKey is LAPMKGHXWMSLPL-GMROUXNLSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(8-13)14-9-11-4-6-12(7-5-11)15(2)3/h4-7,9-10H,1-3H3/b14-9+/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile?
(2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile has a molecular weight of 201.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile is sourced from PubChem (CID 76764151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).