2-morpholin-4-yloctanenitrile

C12H22N2O — CID 13437383

IUPAC2-morpholin-4-yloctanenitrile
SMILESCCCCCCC(C#N)N1CCOCC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-12(11-13)14-7-9-15-10-8-14/h12H,2-10H2,1H3
InChIKeyALWIVBYMBDGTOD-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.18
Rot. Bonds6

About 2-morpholin-4-yloctanenitrile

2-morpholin-4-yloctanenitrile (PubChem CID 13437383) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-morpholin-4-yloctanenitrile.

Molecular Properties

Compound Name2-morpholin-4-yloctanenitrile
PubChem CID13437383
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-morpholin-4-yloctanenitrile
SMILESCCCCCCC(C#N)N1CCOCC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-12(11-13)14-7-9-15-10-8-14/h12H,2-10H2,1H3
InChIKeyALWIVBYMBDGTOD-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-morpholin-4-yloctanenitrile?
The IUPAC name of 2-morpholin-4-yloctanenitrile (CID 13437383) is 2-morpholin-4-yloctanenitrile.
What is the SMILES notation for 2-morpholin-4-yloctanenitrile?
The canonical SMILES for 2-morpholin-4-yloctanenitrile is CCCCCCC(C#N)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yloctanenitrile?
The InChIKey is ALWIVBYMBDGTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-5-6-12(11-13)14-7-9-15-10-8-14/h12H,2-10H2,1H3.
What are the key properties of 2-morpholin-4-yloctanenitrile?
2-morpholin-4-yloctanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yloctanenitrile is sourced from PubChem (CID 13437383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).