(2R,5R)-4-butyl-2,5-dimethylmorpholine

C10H21NO — CID 131844399

IUPAC(2R,5R)-4-butyl-2,5-dimethylmorpholine
SMILESCCCCN1C[C@@H](C)OC[C@H]1C
InChIInChI=1S/C10H21NO/c1-4-5-6-11-7-10(3)12-8-9(11)2/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyBRYLIXFBAVZYCU-NXEZZACHSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds3

About (2R,5R)-4-butyl-2,5-dimethylmorpholine

(2R,5R)-4-butyl-2,5-dimethylmorpholine (PubChem CID 131844399) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R,5R)-4-butyl-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2R,5R)-4-butyl-2,5-dimethylmorpholine
PubChem CID131844399
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R,5R)-4-butyl-2,5-dimethylmorpholine
SMILESCCCCN1C[C@@H](C)OC[C@H]1C
InChIInChI=1S/C10H21NO/c1-4-5-6-11-7-10(3)12-8-9(11)2/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyBRYLIXFBAVZYCU-NXEZZACHSA-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

Analyze (2R,5R)-4-butyl-2,5-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-4-butyl-2,5-dimethylmorpholine?
The IUPAC name of (2R,5R)-4-butyl-2,5-dimethylmorpholine (CID 131844399) is (2R,5R)-4-butyl-2,5-dimethylmorpholine.
What is the SMILES notation for (2R,5R)-4-butyl-2,5-dimethylmorpholine?
The canonical SMILES for (2R,5R)-4-butyl-2,5-dimethylmorpholine is CCCCN1C[C@@H](C)OC[C@H]1C.
What is the InChIKey of (2R,5R)-4-butyl-2,5-dimethylmorpholine?
The InChIKey is BRYLIXFBAVZYCU-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-11-7-10(3)12-8-9(11)2/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,5R)-4-butyl-2,5-dimethylmorpholine?
(2R,5R)-4-butyl-2,5-dimethylmorpholine 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 (2R,5R)-4-butyl-2,5-dimethylmorpholine is sourced from PubChem (CID 131844399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).