(3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine

C10H21NO — CID 170219937

IUPAC(3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine
SMILESCCC(C)(C)N1CCOC[C@H]1C
InChIInChI=1S/C10H21NO/c1-5-10(3,4)11-6-7-12-8-9(11)2/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyHPABRZAYAPRTKR-SECBINFHSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds2

About (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine

(3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine (PubChem CID 170219937) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine
PubChem CID170219937
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine
SMILESCCC(C)(C)N1CCOC[C@H]1C
InChIInChI=1S/C10H21NO/c1-5-10(3,4)11-6-7-12-8-9(11)2/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyHPABRZAYAPRTKR-SECBINFHSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine?
The IUPAC name of (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine (CID 170219937) is (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine.
What is the SMILES notation for (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine?
The canonical SMILES for (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine is CCC(C)(C)N1CCOC[C@H]1C.
What is the InChIKey of (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine?
The InChIKey is HPABRZAYAPRTKR-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(3,4)11-6-7-12-8-9(11)2/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine?
(3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine is sourced from PubChem (CID 170219937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).