1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile

C13H22N2O — CID 165451404

IUPAC1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CCCCN2CCOCC2)CCC1
InChIInChI=1S/C13H22N2O/c14-12-13(5-3-6-13)4-1-2-7-15-8-10-16-11-9-15/h1-11H2
InChIKeyFNFQYNXELJPYSY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds5

About 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile

1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile (PubChem CID 165451404) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile
PubChem CID165451404
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CCCCN2CCOCC2)CCC1
InChIInChI=1S/C13H22N2O/c14-12-13(5-3-6-13)4-1-2-7-15-8-10-16-11-9-15/h1-11H2
InChIKeyFNFQYNXELJPYSY-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
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 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile (CID 165451404) is 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile is N#CC1(CCCCN2CCOCC2)CCC1.
What is the InChIKey of 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile?
The InChIKey is FNFQYNXELJPYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-12-13(5-3-6-13)4-1-2-7-15-8-10-16-11-9-15/h1-11H2.
What are the key properties of 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile?
1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 165451404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).