4-(4-methylpentan-2-yl)morpholine

C10H21NO — CID 13398802

IUPAC4-(4-methylpentan-2-yl)morpholine
SMILESCC(C)CC(C)N1CCOCC1
InChIInChI=1S/C10H21NO/c1-9(2)8-10(3)11-4-6-12-7-5-11/h9-10H,4-8H2,1-3H3
InChIKeyZJYGMBNNLDQNPZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds3

About 4-(4-methylpentan-2-yl)morpholine

4-(4-methylpentan-2-yl)morpholine (PubChem CID 13398802) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(4-methylpentan-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-methylpentan-2-yl)morpholine
PubChem CID13398802
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(4-methylpentan-2-yl)morpholine
SMILESCC(C)CC(C)N1CCOCC1
InChIInChI=1S/C10H21NO/c1-9(2)8-10(3)11-4-6-12-7-5-11/h9-10H,4-8H2,1-3H3
InChIKeyZJYGMBNNLDQNPZ-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentan-2-yl)morpholine?
The IUPAC name of 4-(4-methylpentan-2-yl)morpholine (CID 13398802) is 4-(4-methylpentan-2-yl)morpholine.
What is the SMILES notation for 4-(4-methylpentan-2-yl)morpholine?
The canonical SMILES for 4-(4-methylpentan-2-yl)morpholine is CC(C)CC(C)N1CCOCC1.
What is the InChIKey of 4-(4-methylpentan-2-yl)morpholine?
The InChIKey is ZJYGMBNNLDQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)8-10(3)11-4-6-12-7-5-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(4-methylpentan-2-yl)morpholine?
4-(4-methylpentan-2-yl)morpholine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentan-2-yl)morpholine is sourced from PubChem (CID 13398802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).