2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride

C22H30ClNO — CID 3066075

IUPAC2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride
SMILESCN1CCOC(C)(c2ccc(C3CCCCC3)c3ccccc23)C1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-22(16-23(2)14-15-24-22)21-13-12-18(17-8-4-3-5-9-17)19-10-6-7-11-20(19)21;/h6-7,10-13,17H,3-5,8-9,14-16H2,1-2H3;1H
InChIKeyQGBWDJQUEUNACX-UHFFFAOYSA-N
MW359.94 g/mol
LogP5.49
Rot. Bonds2

About 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride

2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride (PubChem CID 3066075) has the molecular formula C22H30ClNO and a molecular weight of 359.94 g/mol. Its IUPAC name is 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride
PubChem CID3066075
Molecular FormulaC22H30ClNO
Molecular Weight359.94 g/mol
Exact Mass359.20
IUPAC Name2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride
SMILESCN1CCOC(C)(c2ccc(C3CCCCC3)c3ccccc23)C1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-22(16-23(2)14-15-24-22)21-13-12-18(17-8-4-3-5-9-17)19-10-6-7-11-20(19)21;/h6-7,10-13,17H,3-5,8-9,14-16H2,1-2H3;1H
InChIKeyQGBWDJQUEUNACX-UHFFFAOYSA-N
XLogP5.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.94
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride?
The IUPAC name of 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride (CID 3066075) is 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride.
What is the SMILES notation for 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride?
The canonical SMILES for 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride is CN1CCOC(C)(c2ccc(C3CCCCC3)c3ccccc23)C1.Cl.
What is the InChIKey of 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride?
The InChIKey is QGBWDJQUEUNACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.ClH/c1-22(16-23(2)14-15-24-22)21-13-12-18(17-8-4-3-5-9-17)19-10-6-7-11-20(19)21;/h6-7,10-13,17H,3-5,8-9,14-16H2,1-2H3;1H.
What are the key properties of 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride?
2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 3066075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).