(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine

C10H21NO — CID 168851954

IUPAC(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
SMILESCN1CCOC[C@H]1CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)7-9-8-12-6-5-11(9)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyAQLYYFFFNKVTBJ-SECBINFHSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds1

About (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine

(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine (PubChem CID 168851954) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine.

Molecular Properties

Compound Name(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
PubChem CID168851954
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
SMILESCN1CCOC[C@H]1CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-10(2,3)7-9-8-12-6-5-11(9)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyAQLYYFFFNKVTBJ-SECBINFHSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

(3S)-3-ethyl-4-methylmorpholine
CID 130351596
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
[(3S)-4-methylmorpholin-3-yl]methanamine
CID 66577079
3-(fluoromethyl)-4-methylmorpholine
CID 83854278
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703
2-[(3S)-4-methylmorpholin-3-yl]ethanol
CID 155290392
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
ethane;2-[(4-methylmorpholin-3-yl)methyl]propane-1,3-diol
CID 144576606
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
CID 58874495
N-[(4-methylmorpholin-3-yl)methyl]acetamide
CID 10035059
ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine
CID 178086469

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine?
The IUPAC name of (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine (CID 168851954) is (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine.
What is the SMILES notation for (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine?
The canonical SMILES for (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine is CN1CCOC[C@H]1CC(C)(C)C.
What is the InChIKey of (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine?
The InChIKey is AQLYYFFFNKVTBJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)7-9-8-12-6-5-11(9)4/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine?
(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine is sourced from PubChem (CID 168851954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).