4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile

C15H20N2O — CID 23087108

IUPAC4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile
SMILESCN(C)C1(COc2ccc(C#N)cc2)CCCC1
InChIInChI=1S/C15H20N2O/c1-17(2)15(9-3-4-10-15)12-18-14-7-5-13(11-16)6-8-14/h5-8H,3-4,9-10,12H2,1-2H3
InChIKeyATZOLSORTGXYHM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.81
Rot. Bonds4

About 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile

4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile (PubChem CID 23087108) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile
PubChem CID23087108
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile
SMILESCN(C)C1(COc2ccc(C#N)cc2)CCCC1
InChIInChI=1S/C15H20N2O/c1-17(2)15(9-3-4-10-15)12-18-14-7-5-13(11-16)6-8-14/h5-8H,3-4,9-10,12H2,1-2H3
InChIKeyATZOLSORTGXYHM-UHFFFAOYSA-N
XLogP2.81
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile
CID 105414678
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
4-[[1-(bromomethyl)cycloheptyl]methoxy]benzonitrile
CID 65010301
4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile
CID 43201843
[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003047
2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760086
2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
CID 78912493
4-(3-methylpiperidin-3-yl)oxybenzonitrile
CID 117052663
1-[(4-tert-butylphenoxy)methyl]cyclohexane-1-carbonitrile
CID 94697357
4-[1-(methoxymethyl)cyclopentyl]benzonitrile
CID 67480439
2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid
CID 65243369
4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 55713088

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile?
The IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile (CID 23087108) is 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile?
The canonical SMILES for 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile is CN(C)C1(COc2ccc(C#N)cc2)CCCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile?
The InChIKey is ATZOLSORTGXYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(2)15(9-3-4-10-15)12-18-14-7-5-13(11-16)6-8-14/h5-8H,3-4,9-10,12H2,1-2H3.
What are the key properties of 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile?
4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile is sourced from PubChem (CID 23087108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).