5-(morpholin-4-ylamino)pentanenitrile

C9H17N3O — CID 83021047

IUPAC5-(morpholin-4-ylamino)pentanenitrile
SMILESN#CCCCCNN1CCOCC1
InChIInChI=1S/C9H17N3O/c10-4-2-1-3-5-11-12-6-8-13-9-7-12/h11H,1-3,5-9H2
InChIKeyJVHFZBDISHAWFZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.52
Rot. Bonds5

About 5-(morpholin-4-ylamino)pentanenitrile

5-(morpholin-4-ylamino)pentanenitrile (PubChem CID 83021047) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-(morpholin-4-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-(morpholin-4-ylamino)pentanenitrile
PubChem CID83021047
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-(morpholin-4-ylamino)pentanenitrile
SMILESN#CCCCCNN1CCOCC1
InChIInChI=1S/C9H17N3O/c10-4-2-1-3-5-11-12-6-8-13-9-7-12/h11H,1-3,5-9H2
InChIKeyJVHFZBDISHAWFZ-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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 5-(morpholin-4-ylamino)pentanenitrile?
The IUPAC name of 5-(morpholin-4-ylamino)pentanenitrile (CID 83021047) is 5-(morpholin-4-ylamino)pentanenitrile.
What is the SMILES notation for 5-(morpholin-4-ylamino)pentanenitrile?
The canonical SMILES for 5-(morpholin-4-ylamino)pentanenitrile is N#CCCCCNN1CCOCC1.
What is the InChIKey of 5-(morpholin-4-ylamino)pentanenitrile?
The InChIKey is JVHFZBDISHAWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-4-2-1-3-5-11-12-6-8-13-9-7-12/h11H,1-3,5-9H2.
What are the key properties of 5-(morpholin-4-ylamino)pentanenitrile?
5-(morpholin-4-ylamino)pentanenitrile has a molecular weight of 183.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylamino)pentanenitrile is sourced from PubChem (CID 83021047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).