3-(2-methylpropyl)-4-propan-2-ylmorpholine

C11H23NO — CID 58279606

IUPAC3-(2-methylpropyl)-4-propan-2-ylmorpholine
SMILESCC(C)CC1COCCN1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-11-8-13-6-5-12(11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFUGNPEQGEFQTIL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds3

About 3-(2-methylpropyl)-4-propan-2-ylmorpholine

3-(2-methylpropyl)-4-propan-2-ylmorpholine (PubChem CID 58279606) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-propan-2-ylmorpholine
PubChem CID58279606
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(2-methylpropyl)-4-propan-2-ylmorpholine
SMILESCC(C)CC1COCCN1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-11-8-13-6-5-12(11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFUGNPEQGEFQTIL-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylpropyl)-4-propan-2-ylmorpholine 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 3-(2-methylpropyl)-4-propan-2-ylmorpholine?
The IUPAC name of 3-(2-methylpropyl)-4-propan-2-ylmorpholine (CID 58279606) is 3-(2-methylpropyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 3-(2-methylpropyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 3-(2-methylpropyl)-4-propan-2-ylmorpholine is CC(C)CC1COCCN1C(C)C.
What is the InChIKey of 3-(2-methylpropyl)-4-propan-2-ylmorpholine?
The InChIKey is FUGNPEQGEFQTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-11-8-13-6-5-12(11)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-4-propan-2-ylmorpholine?
3-(2-methylpropyl)-4-propan-2-ylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 58279606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).