3-(2-morpholin-4-ylethylamino)propanenitrile

C9H17N3O — CID 2398095

IUPAC3-(2-morpholin-4-ylethylamino)propanenitrile
SMILESN#CCCNCCN1CCOCC1
InChIInChI=1S/C9H17N3O/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h11H,1,3-9H2
InChIKeyZNDCJNWMQMVSQG-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.18
Rot. Bonds5

About 3-(2-morpholin-4-ylethylamino)propanenitrile

3-(2-morpholin-4-ylethylamino)propanenitrile (PubChem CID 2398095) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)propanenitrile
PubChem CID2398095
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-(2-morpholin-4-ylethylamino)propanenitrile
SMILESN#CCCNCCN1CCOCC1
InChIInChI=1S/C9H17N3O/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h11H,1,3-9H2
InChIKeyZNDCJNWMQMVSQG-UHFFFAOYSA-N
XLogP-0.18
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)propanenitrile?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)propanenitrile (CID 2398095) is 3-(2-morpholin-4-ylethylamino)propanenitrile.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)propanenitrile?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)propanenitrile is N#CCCNCCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)propanenitrile?
The InChIKey is ZNDCJNWMQMVSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h11H,1,3-9H2.
What are the key properties of 3-(2-morpholin-4-ylethylamino)propanenitrile?
3-(2-morpholin-4-ylethylamino)propanenitrile has a molecular weight of 183.25 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)propanenitrile is sourced from PubChem (CID 2398095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).