4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine

C17H33NO — CID 122679820

IUPAC4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine
SMILESCC(C)C1(C(C)(C)C)CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)17(16(3,4)5)8-6-15(7-9-17)18-10-12-19-13-11-18/h14-15H,6-13H2,1-5H3
InChIKeyQTYXZNBKOZBOTR-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.95
Rot. Bonds2

About 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine

4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine (PubChem CID 122679820) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine.

Molecular Properties

Compound Name4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine
PubChem CID122679820
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine
SMILESCC(C)C1(C(C)(C)C)CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)17(16(3,4)5)8-6-15(7-9-17)18-10-12-19-13-11-18/h14-15H,6-13H2,1-5H3
InChIKeyQTYXZNBKOZBOTR-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine 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 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine?
The IUPAC name of 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine (CID 122679820) is 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine.
What is the SMILES notation for 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine?
The canonical SMILES for 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine is CC(C)C1(C(C)(C)C)CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine?
The InChIKey is QTYXZNBKOZBOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)17(16(3,4)5)8-6-15(7-9-17)18-10-12-19-13-11-18/h14-15H,6-13H2,1-5H3.
What are the key properties of 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine?
4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine has a molecular weight of 267.46 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine is sourced from PubChem (CID 122679820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).