4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile

C15H19N3O — CID 124545796

IUPAC4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile
SMILESN#Cc1ccc(NC[C@@H]2CN(C3CC3)CCO2)cc1
InChIInChI=1S/C15H19N3O/c16-9-12-1-3-13(4-2-12)17-10-15-11-18(7-8-19-15)14-5-6-14/h1-4,14-15,17H,5-8,10-11H2/t15-/m1/s1
InChIKeyHUQZOOQGMRGHLX-OAHLLOKOSA-N
MW257.34 g/mol
LogP1.83
Rot. Bonds4

About 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile

4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile (PubChem CID 124545796) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile
PubChem CID124545796
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile
SMILESN#Cc1ccc(NC[C@@H]2CN(C3CC3)CCO2)cc1
InChIInChI=1S/C15H19N3O/c16-9-12-1-3-13(4-2-12)17-10-15-11-18(7-8-19-15)14-5-6-14/h1-4,14-15,17H,5-8,10-11H2/t15-/m1/s1
InChIKeyHUQZOOQGMRGHLX-OAHLLOKOSA-N
XLogP1.83
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile?
The IUPAC name of 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile (CID 124545796) is 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile.
What is the SMILES notation for 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile?
The canonical SMILES for 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile is N#Cc1ccc(NC[C@@H]2CN(C3CC3)CCO2)cc1.
What is the InChIKey of 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile?
The InChIKey is HUQZOOQGMRGHLX-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-12-1-3-13(4-2-12)17-10-15-11-18(7-8-19-15)14-5-6-14/h1-4,14-15,17H,5-8,10-11H2/t15-/m1/s1.
What are the key properties of 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile?
4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile is sourced from PubChem (CID 124545796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).