4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine

C21H39NO — CID 14303135

IUPAC4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine
SMILESCC1CN(C2CCC(C(C)(C)C3CCCCC3)CC2)CC(C)O1
InChIInChI=1S/C21H39NO/c1-16-14-22(15-17(2)23-16)20-12-10-19(11-13-20)21(3,4)18-8-6-5-7-9-18/h16-20H,5-15H2,1-4H3
InChIKeyQRMUSCPOCARTSI-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.26
Rot. Bonds3

About 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine

4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine (PubChem CID 14303135) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine
PubChem CID14303135
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine
SMILESCC1CN(C2CCC(C(C)(C)C3CCCCC3)CC2)CC(C)O1
InChIInChI=1S/C21H39NO/c1-16-14-22(15-17(2)23-16)20-12-10-19(11-13-20)21(3,4)18-8-6-5-7-9-18/h16-20H,5-15H2,1-4H3
InChIKeyQRMUSCPOCARTSI-UHFFFAOYSA-N
XLogP5.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine (CID 14303135) is 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine is CC1CN(C2CCC(C(C)(C)C3CCCCC3)CC2)CC(C)O1.
What is the InChIKey of 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine?
The InChIKey is QRMUSCPOCARTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-16-14-22(15-17(2)23-16)20-12-10-19(11-13-20)21(3,4)18-8-6-5-7-9-18/h16-20H,5-15H2,1-4H3.
What are the key properties of 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine?
4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine has a molecular weight of 321.55 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 14303135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).