3-methyl-4-pentan-2-ylmorpholine

C10H21NO — CID 130660502

IUPAC3-methyl-4-pentan-2-ylmorpholine
SMILESCCCC(C)N1CCOCC1C
InChIInChI=1S/C10H21NO/c1-4-5-9(2)11-6-7-12-8-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeySLICZJCNCVZHBX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds3

About 3-methyl-4-pentan-2-ylmorpholine

3-methyl-4-pentan-2-ylmorpholine (PubChem CID 130660502) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-4-pentan-2-ylmorpholine.

Molecular Properties

Compound Name3-methyl-4-pentan-2-ylmorpholine
PubChem CID130660502
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-4-pentan-2-ylmorpholine
SMILESCCCC(C)N1CCOCC1C
InChIInChI=1S/C10H21NO/c1-4-5-9(2)11-6-7-12-8-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeySLICZJCNCVZHBX-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pentan-2-ylmorpholine?
The IUPAC name of 3-methyl-4-pentan-2-ylmorpholine (CID 130660502) is 3-methyl-4-pentan-2-ylmorpholine.
What is the SMILES notation for 3-methyl-4-pentan-2-ylmorpholine?
The canonical SMILES for 3-methyl-4-pentan-2-ylmorpholine is CCCC(C)N1CCOCC1C.
What is the InChIKey of 3-methyl-4-pentan-2-ylmorpholine?
The InChIKey is SLICZJCNCVZHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-9(2)11-6-7-12-8-10(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-methyl-4-pentan-2-ylmorpholine?
3-methyl-4-pentan-2-ylmorpholine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pentan-2-ylmorpholine is sourced from PubChem (CID 130660502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).