2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine

C24H33NO — CID 3066068

IUPAC2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C)(c2ccc(C3CCCCC3)c3ccccc23)C1
InChIInChI=1S/C24H33NO/c1-18(2)25-15-16-26-24(3,17-25)23-14-13-20(19-9-5-4-6-10-19)21-11-7-8-12-22(21)23/h7-8,11-14,18-19H,4-6,9-10,15-17H2,1-3H3
InChIKeyUQAJUVYFKKPNLZ-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.84
Rot. Bonds3

About 2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine

2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine (PubChem CID 3066068) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine
PubChem CID3066068
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C)(c2ccc(C3CCCCC3)c3ccccc23)C1
InChIInChI=1S/C24H33NO/c1-18(2)25-15-16-26-24(3,17-25)23-14-13-20(19-9-5-4-6-10-19)21-11-7-8-12-22(21)23/h7-8,11-14,18-19H,4-6,9-10,15-17H2,1-3H3
InChIKeyUQAJUVYFKKPNLZ-UHFFFAOYSA-N
XLogP5.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.84
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-methyl-4-propan-2-ylmorpholine?
The IUPAC name of 2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine (CID 3066068) is 2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine is CC(C)N1CCOC(C)(c2ccc(C3CCCCC3)c3ccccc23)C1.
What is the InChIKey of 2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine?
The InChIKey is UQAJUVYFKKPNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-18(2)25-15-16-26-24(3,17-25)23-14-13-20(19-9-5-4-6-10-19)21-11-7-8-12-22(21)23/h7-8,11-14,18-19H,4-6,9-10,15-17H2,1-3H3.
What are the key properties of 2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine?
2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine has a molecular weight of 351.53 g/mol, XLogP of 5.84, 3 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-methyl-4-propan-2-ylmorpholine is sourced from PubChem (CID 3066068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).