3-(3-morpholin-4-ylpropylamino)propanenitrile

C10H19N3O — CID 2794871

IUPAC3-(3-morpholin-4-ylpropylamino)propanenitrile
SMILESN#CCCNCCCN1CCOCC1
InChIInChI=1S/C10H19N3O/c11-3-1-4-12-5-2-6-13-7-9-14-10-8-13/h12H,1-2,4-10H2
InChIKeyDLHVNVSLZVDSRJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.21
Rot. Bonds6

About 3-(3-morpholin-4-ylpropylamino)propanenitrile

3-(3-morpholin-4-ylpropylamino)propanenitrile (PubChem CID 2794871) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropylamino)propanenitrile.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropylamino)propanenitrile
PubChem CID2794871
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(3-morpholin-4-ylpropylamino)propanenitrile
SMILESN#CCCNCCCN1CCOCC1
InChIInChI=1S/C10H19N3O/c11-3-1-4-12-5-2-6-13-7-9-14-10-8-13/h12H,1-2,4-10H2
InChIKeyDLHVNVSLZVDSRJ-UHFFFAOYSA-N
XLogP0.21
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.21
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-(3-morpholin-4-ylpropylamino)propanenitrile?
The IUPAC name of 3-(3-morpholin-4-ylpropylamino)propanenitrile (CID 2794871) is 3-(3-morpholin-4-ylpropylamino)propanenitrile.
What is the SMILES notation for 3-(3-morpholin-4-ylpropylamino)propanenitrile?
The canonical SMILES for 3-(3-morpholin-4-ylpropylamino)propanenitrile is N#CCCNCCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropylamino)propanenitrile?
The InChIKey is DLHVNVSLZVDSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-3-1-4-12-5-2-6-13-7-9-14-10-8-13/h12H,1-2,4-10H2.
What are the key properties of 3-(3-morpholin-4-ylpropylamino)propanenitrile?
3-(3-morpholin-4-ylpropylamino)propanenitrile has a molecular weight of 197.28 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropylamino)propanenitrile is sourced from PubChem (CID 2794871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).