2-hexan-2-yl-4-methylmorpholine

C11H23NO — CID 130433499

IUPAC2-hexan-2-yl-4-methylmorpholine
SMILESCCCCC(C)C1CN(C)CCO1
InChIInChI=1S/C11H23NO/c1-4-5-6-10(2)11-9-12(3)7-8-13-11/h10-11H,4-9H2,1-3H3
InChIKeyDXAIYWWLQGEXMK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds4

About 2-hexan-2-yl-4-methylmorpholine

2-hexan-2-yl-4-methylmorpholine (PubChem CID 130433499) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-hexan-2-yl-4-methylmorpholine.

Molecular Properties

Compound Name2-hexan-2-yl-4-methylmorpholine
PubChem CID130433499
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-hexan-2-yl-4-methylmorpholine
SMILESCCCCC(C)C1CN(C)CCO1
InChIInChI=1S/C11H23NO/c1-4-5-6-10(2)11-9-12(3)7-8-13-11/h10-11H,4-9H2,1-3H3
InChIKeyDXAIYWWLQGEXMK-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yl-4-methylmorpholine?
The IUPAC name of 2-hexan-2-yl-4-methylmorpholine (CID 130433499) is 2-hexan-2-yl-4-methylmorpholine.
What is the SMILES notation for 2-hexan-2-yl-4-methylmorpholine?
The canonical SMILES for 2-hexan-2-yl-4-methylmorpholine is CCCCC(C)C1CN(C)CCO1.
What is the InChIKey of 2-hexan-2-yl-4-methylmorpholine?
The InChIKey is DXAIYWWLQGEXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-10(2)11-9-12(3)7-8-13-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-hexan-2-yl-4-methylmorpholine?
2-hexan-2-yl-4-methylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-4-methylmorpholine is sourced from PubChem (CID 130433499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).