4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran

C17H33NO2 — CID 158726697

IUPAC4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC(C)(C)CN1CCOCC1.CC(C)C1=CCOCC1
InChIInChI=1S/C9H19NO.C8H14O/c1-9(2,3)8-10-4-6-11-7-5-10;1-7(2)8-3-5-9-6-4-8/h4-8H2,1-3H3;3,7H,4-6H2,1-2H3
InChIKeyIKOYLWVPPCRJNM-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.35
Rot. Bonds2

About 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran

4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 158726697) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID158726697
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC(C)(C)CN1CCOCC1.CC(C)C1=CCOCC1
InChIInChI=1S/C9H19NO.C8H14O/c1-9(2,3)8-10-4-6-11-7-5-10;1-7(2)8-3-5-9-6-4-8/h4-8H2,1-3H3;3,7H,4-6H2,1-2H3
InChIKeyIKOYLWVPPCRJNM-UHFFFAOYSA-N
XLogP3.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran 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-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran (CID 158726697) is 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran is CC(C)(C)CN1CCOCC1.CC(C)C1=CCOCC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is IKOYLWVPPCRJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H14O/c1-9(2,3)8-10-4-6-11-7-5-10;1-7(2)8-3-5-9-6-4-8/h4-8H2,1-3H3;3,7H,4-6H2,1-2H3.
What are the key properties of 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran?
4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran has a molecular weight of 283.46 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)morpholine;4-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 158726697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).