4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile

C17H25N3O — CID 105414678

IUPAC4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile
SMILESCN(CCOc1ccc(C#N)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H25N3O/c1-19(2)17(9-4-10-17)14-20(3)11-12-21-16-7-5-15(13-18)6-8-16/h5-8H,4,9-12,14H2,1-3H3
InChIKeyFNHKIBSEBKNRNF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.35
Rot. Bonds7

About 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile

4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile (PubChem CID 105414678) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile
PubChem CID105414678
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile
SMILESCN(CCOc1ccc(C#N)cc1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H25N3O/c1-19(2)17(9-4-10-17)14-20(3)11-12-21-16-7-5-15(13-18)6-8-16/h5-8H,4,9-12,14H2,1-3H3
InChIKeyFNHKIBSEBKNRNF-UHFFFAOYSA-N
XLogP2.35
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile (CID 105414678) is 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile is CN(CCOc1ccc(C#N)cc1)CC1(N(C)C)CCC1.
What is the InChIKey of 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile?
The InChIKey is FNHKIBSEBKNRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(2)17(9-4-10-17)14-20(3)11-12-21-16-7-5-15(13-18)6-8-16/h5-8H,4,9-12,14H2,1-3H3.
What are the key properties of 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile?
4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile is sourced from PubChem (CID 105414678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).