2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile

C15H20N2O — CID 54155690

IUPAC2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile
SMILESCN(C)CCC(Oc1ccccc1C#N)C1CC1
InChIInChI=1S/C15H20N2O/c1-17(2)10-9-15(12-7-8-12)18-14-6-4-3-5-13(14)11-16/h3-6,12,15H,7-10H2,1-2H3
InChIKeyOKWLQAAHPKHLGT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.67
Rot. Bonds6

About 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile

2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile (PubChem CID 54155690) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile.

Molecular Properties

Compound Name2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile
PubChem CID54155690
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile
SMILESCN(C)CCC(Oc1ccccc1C#N)C1CC1
InChIInChI=1S/C15H20N2O/c1-17(2)10-9-15(12-7-8-12)18-14-6-4-3-5-13(14)11-16/h3-6,12,15H,7-10H2,1-2H3
InChIKeyOKWLQAAHPKHLGT-UHFFFAOYSA-N
XLogP2.67
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile?
The IUPAC name of 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile (CID 54155690) is 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile.
What is the SMILES notation for 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile?
The canonical SMILES for 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile is CN(C)CCC(Oc1ccccc1C#N)C1CC1.
What is the InChIKey of 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile?
The InChIKey is OKWLQAAHPKHLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(2)10-9-15(12-7-8-12)18-14-6-4-3-5-13(14)11-16/h3-6,12,15H,7-10H2,1-2H3.
What are the key properties of 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile?
2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile is sourced from PubChem (CID 54155690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).