2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol

C18H35NO2 — CID 14075063

IUPAC2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol
SMILESCC1CCCC(CC(C)(C)C(C)(O)CN2CCOCC2)C1
InChIInChI=1S/C18H35NO2/c1-15-6-5-7-16(12-15)13-17(2,3)18(4,20)14-19-8-10-21-11-9-19/h15-16,20H,5-14H2,1-4H3
InChIKeyLSTUZNHTICJFGL-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.31
Rot. Bonds5

About 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol

2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol (PubChem CID 14075063) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol
PubChem CID14075063
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol
SMILESCC1CCCC(CC(C)(C)C(C)(O)CN2CCOCC2)C1
InChIInChI=1S/C18H35NO2/c1-15-6-5-7-16(12-15)13-17(2,3)18(4,20)14-19-8-10-21-11-9-19/h15-16,20H,5-14H2,1-4H3
InChIKeyLSTUZNHTICJFGL-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol?
The IUPAC name of 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol (CID 14075063) is 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol.
What is the SMILES notation for 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol?
The canonical SMILES for 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol is CC1CCCC(CC(C)(C)C(C)(O)CN2CCOCC2)C1.
What is the InChIKey of 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol?
The InChIKey is LSTUZNHTICJFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-15-6-5-7-16(12-15)13-17(2,3)18(4,20)14-19-8-10-21-11-9-19/h15-16,20H,5-14H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol?
2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol has a molecular weight of 297.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-(3-methylcyclohexyl)-1-morpholin-4-ylbutan-2-ol is sourced from PubChem (CID 14075063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).