2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile

C19H22N2O — CID 18120

IUPAC2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
SMILESCC(C#N)(CCN1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C19H22N2O/c1-19(15-20,9-10-21-11-13-22-14-12-21)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3
InChIKeyGAHYKZLSBRYVAW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.34
Rot. Bonds4

About 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile

2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile (PubChem CID 18120) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
PubChem CID18120
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
SMILESCC(C#N)(CCN1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C19H22N2O/c1-19(15-20,9-10-21-11-13-22-14-12-21)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3
InChIKeyGAHYKZLSBRYVAW-UHFFFAOYSA-N
XLogP3.34
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile?
The IUPAC name of 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile (CID 18120) is 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile.
What is the SMILES notation for 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile?
The canonical SMILES for 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile is CC(C#N)(CCN1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile?
The InChIKey is GAHYKZLSBRYVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(15-20,9-10-21-11-13-22-14-12-21)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3.
What are the key properties of 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile?
2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile has a molecular weight of 294.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile is sourced from PubChem (CID 18120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).