2-(2-morpholin-4-ylpropyl)propanedinitrile

C10H15N3O — CID 175082995

IUPAC2-(2-morpholin-4-ylpropyl)propanedinitrile
SMILESCC(CC(C#N)C#N)N1CCOCC1
InChIInChI=1S/C10H15N3O/c1-9(6-10(7-11)8-12)13-2-4-14-5-3-13/h9-10H,2-6H2,1H3
InChIKeyMIWOJFARCIDEHG-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.76
Rot. Bonds3

About 2-(2-morpholin-4-ylpropyl)propanedinitrile

2-(2-morpholin-4-ylpropyl)propanedinitrile (PubChem CID 175082995) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylpropyl)propanedinitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-ylpropyl)propanedinitrile
PubChem CID175082995
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(2-morpholin-4-ylpropyl)propanedinitrile
SMILESCC(CC(C#N)C#N)N1CCOCC1
InChIInChI=1S/C10H15N3O/c1-9(6-10(7-11)8-12)13-2-4-14-5-3-13/h9-10H,2-6H2,1H3
InChIKeyMIWOJFARCIDEHG-UHFFFAOYSA-N
XLogP0.76
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylpropyl)propanedinitrile?
The IUPAC name of 2-(2-morpholin-4-ylpropyl)propanedinitrile (CID 175082995) is 2-(2-morpholin-4-ylpropyl)propanedinitrile.
What is the SMILES notation for 2-(2-morpholin-4-ylpropyl)propanedinitrile?
The canonical SMILES for 2-(2-morpholin-4-ylpropyl)propanedinitrile is CC(CC(C#N)C#N)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylpropyl)propanedinitrile?
The InChIKey is MIWOJFARCIDEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-9(6-10(7-11)8-12)13-2-4-14-5-3-13/h9-10H,2-6H2,1H3.
What are the key properties of 2-(2-morpholin-4-ylpropyl)propanedinitrile?
2-(2-morpholin-4-ylpropyl)propanedinitrile has a molecular weight of 193.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylpropyl)propanedinitrile is sourced from PubChem (CID 175082995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).