3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile

C22H28N2O — CID 14713

IUPAC3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile
SMILESCCC(C)C(C#N)(CCN1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O/c1-3-18(2)22(17-23,11-12-24-13-15-25-16-14-24)21-10-6-8-19-7-4-5-9-20(19)21/h4-10,18H,3,11-16H2,1-2H3
InChIKeyVNUYADCWVCUHBG-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.37
Rot. Bonds6

About 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile

3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile (PubChem CID 14713) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile.

Molecular Properties

Compound Name3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile
PubChem CID14713
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile
SMILESCCC(C)C(C#N)(CCN1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O/c1-3-18(2)22(17-23,11-12-24-13-15-25-16-14-24)21-10-6-8-19-7-4-5-9-20(19)21/h4-10,18H,3,11-16H2,1-2H3
InChIKeyVNUYADCWVCUHBG-UHFFFAOYSA-N
XLogP4.37
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950702
PrNMI
CID 72950872
4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 9976253
4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10546947
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10619854
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10667559
4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72948233
4-methyl-4-[2-[(3E)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholin-4-ium iodide
CID 130339702
Mls002638304
CID 224580
4-(Morpholin-4-yl)-2,2-diphenylbutanenitrile
CID 228568
4-[(3-Methyl-2-naphthyl)methyl]morpholine
CID 824203
1-Methyl-4-naphthalen-2-yl-piperidine-4-carbonitrile
CID 11230457

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile?
The IUPAC name of 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile (CID 14713) is 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile.
What is the SMILES notation for 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile?
The canonical SMILES for 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile is CCC(C)C(C#N)(CCN1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile?
The InChIKey is VNUYADCWVCUHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-18(2)22(17-23,11-12-24-13-15-25-16-14-24)21-10-6-8-19-7-4-5-9-20(19)21/h4-10,18H,3,11-16H2,1-2H3.
What are the key properties of 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile?
3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile has a molecular weight of 336.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile is sourced from PubChem (CID 14713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).