(2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile

C20H26N2 — CID 125486667

IUPAC(2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile
SMILESCC[C@@H](C)[C@](C#N)(CCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2/c1-5-16(2)20(15-21,12-13-22(3)4)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16H,5,12-13H2,1-4H3/t16-,20-/m1/s1
InChIKeyXQFGDFJMHUHVEI-OXQOHEQNSA-N
MW294.44 g/mol
LogP4.60
Rot. Bonds6

About (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile

(2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile (PubChem CID 125486667) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile.

Molecular Properties

Compound Name(2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile
PubChem CID125486667
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name(2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile
SMILESCC[C@@H](C)[C@](C#N)(CCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2/c1-5-16(2)20(15-21,12-13-22(3)4)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16H,5,12-13H2,1-4H3/t16-,20-/m1/s1
InChIKeyXQFGDFJMHUHVEI-OXQOHEQNSA-N
XLogP4.60
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile?
The IUPAC name of (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile (CID 125486667) is (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile.
What is the SMILES notation for (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile?
The canonical SMILES for (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile is CC[C@@H](C)[C@](C#N)(CCN(C)C)c1ccc2ccccc2c1.
What is the InChIKey of (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile?
The InChIKey is XQFGDFJMHUHVEI-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H26N2/c1-5-16(2)20(15-21,12-13-22(3)4)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16H,5,12-13H2,1-4H3/t16-,20-/m1/s1.
What are the key properties of (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile?
(2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile has a molecular weight of 294.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile is sourced from PubChem (CID 125486667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).