4-[(3S)-2-methylpentan-3-yl]morpholine

C10H21NO — CID 15939279

IUPAC4-[(3S)-2-methylpentan-3-yl]morpholine
SMILESCC[C@@H](C(C)C)N1CCOCC1
InChIInChI=1S/C10H21NO/c1-4-10(9(2)3)11-5-7-12-8-6-11/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyNIJVLVVWRRRMMP-JTQLQIEISA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds3

About 4-[(3S)-2-methylpentan-3-yl]morpholine

4-[(3S)-2-methylpentan-3-yl]morpholine (PubChem CID 15939279) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-[(3S)-2-methylpentan-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3S)-2-methylpentan-3-yl]morpholine
PubChem CID15939279
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-[(3S)-2-methylpentan-3-yl]morpholine
SMILESCC[C@@H](C(C)C)N1CCOCC1
InChIInChI=1S/C10H21NO/c1-4-10(9(2)3)11-5-7-12-8-6-11/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyNIJVLVVWRRRMMP-JTQLQIEISA-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-[(3S)-2-methylpentan-3-yl]morpholine?
The IUPAC name of 4-[(3S)-2-methylpentan-3-yl]morpholine (CID 15939279) is 4-[(3S)-2-methylpentan-3-yl]morpholine.
What is the SMILES notation for 4-[(3S)-2-methylpentan-3-yl]morpholine?
The canonical SMILES for 4-[(3S)-2-methylpentan-3-yl]morpholine is CC[C@@H](C(C)C)N1CCOCC1.
What is the InChIKey of 4-[(3S)-2-methylpentan-3-yl]morpholine?
The InChIKey is NIJVLVVWRRRMMP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(9(2)3)11-5-7-12-8-6-11/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of 4-[(3S)-2-methylpentan-3-yl]morpholine?
4-[(3S)-2-methylpentan-3-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-[(3S)-2-methylpentan-3-yl]morpholine is sourced from PubChem (CID 15939279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).