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

C18H37NO2 — CID 160646898

IUPAC4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran
SMILESC.CC(C)(C)CN1CCOCC1.CC(C)C1=CCOCC1
InChIInChI=1S/C9H19NO.C8H14O.CH4/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;1H4
InChIKeyRJWZUXHITGHLJT-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.99
Rot. Bonds2

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

4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 160646898) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID160646898
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran
SMILESC.CC(C)(C)CN1CCOCC1.CC(C)C1=CCOCC1
InChIInChI=1S/C9H19NO.C8H14O.CH4/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;1H4
InChIKeyRJWZUXHITGHLJT-UHFFFAOYSA-N
XLogP3.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran (CID 160646898) is 4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran is C.CC(C)(C)CN1CCOCC1.CC(C)C1=CCOCC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is RJWZUXHITGHLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H14O.CH4/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;1H4.
What are the key properties of 4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran?
4-(2,2-dimethylpropyl)morpholine;methane;4-propan-2-yl-3,6-dihydro-2H-pyran has a molecular weight of 299.50 g/mol, XLogP of 3.99, 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;methane;4-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 160646898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).