3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile

C11H19N3O — CID 95303524

IUPAC3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile
SMILESN#CCCNC[C@H]1CN(C2CC2)CCO1
InChIInChI=1S/C11H19N3O/c12-4-1-5-13-8-11-9-14(6-7-15-11)10-2-3-10/h10-11,13H,1-3,5-9H2/t11-/m0/s1
InChIKeyUUEYDHIUCCTLJH-NSHDSACASA-N
MW209.29 g/mol
LogP0.35
Rot. Bonds5

About 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile

3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile (PubChem CID 95303524) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile
PubChem CID95303524
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile
SMILESN#CCCNC[C@H]1CN(C2CC2)CCO1
InChIInChI=1S/C11H19N3O/c12-4-1-5-13-8-11-9-14(6-7-15-11)10-2-3-10/h10-11,13H,1-3,5-9H2/t11-/m0/s1
InChIKeyUUEYDHIUCCTLJH-NSHDSACASA-N
XLogP0.35
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]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 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile?
The IUPAC name of 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile (CID 95303524) is 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile.
What is the SMILES notation for 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile?
The canonical SMILES for 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile is N#CCCNC[C@H]1CN(C2CC2)CCO1.
What is the InChIKey of 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile?
The InChIKey is UUEYDHIUCCTLJH-NSHDSACASA-N. The full InChI is InChI=1S/C11H19N3O/c12-4-1-5-13-8-11-9-14(6-7-15-11)10-2-3-10/h10-11,13H,1-3,5-9H2/t11-/m0/s1.
What are the key properties of 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile?
3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile is sourced from PubChem (CID 95303524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).