6-morpholin-4-ylhexanenitrile

C10H18N2O — CID 18617805

IUPAC6-morpholin-4-ylhexanenitrile
SMILESN#CCCCCCN1CCOCC1
InChIInChI=1S/C10H18N2O/c11-5-3-1-2-4-6-12-7-9-13-10-8-12/h1-4,6-10H2
InChIKeyQHMGJRIENZQGFN-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.40
Rot. Bonds5

About 6-morpholin-4-ylhexanenitrile

6-morpholin-4-ylhexanenitrile (PubChem CID 18617805) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 6-morpholin-4-ylhexanenitrile.

Molecular Properties

Compound Name6-morpholin-4-ylhexanenitrile
PubChem CID18617805
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name6-morpholin-4-ylhexanenitrile
SMILESN#CCCCCCN1CCOCC1
InChIInChI=1S/C10H18N2O/c11-5-3-1-2-4-6-12-7-9-13-10-8-12/h1-4,6-10H2
InChIKeyQHMGJRIENZQGFN-UHFFFAOYSA-N
XLogP1.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.40
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 6-morpholin-4-ylhexanenitrile?
The IUPAC name of 6-morpholin-4-ylhexanenitrile (CID 18617805) is 6-morpholin-4-ylhexanenitrile.
What is the SMILES notation for 6-morpholin-4-ylhexanenitrile?
The canonical SMILES for 6-morpholin-4-ylhexanenitrile is N#CCCCCCN1CCOCC1.
What is the InChIKey of 6-morpholin-4-ylhexanenitrile?
The InChIKey is QHMGJRIENZQGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-5-3-1-2-4-6-12-7-9-13-10-8-12/h1-4,6-10H2.
What are the key properties of 6-morpholin-4-ylhexanenitrile?
6-morpholin-4-ylhexanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylhexanenitrile is sourced from PubChem (CID 18617805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).