2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol

C12H26N2O2 — CID 104961371

IUPAC2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H26N2O2/c1-9(5-12(4,13)8-15)14-6-10(2)16-11(3)7-14/h9-11,15H,5-8,13H2,1-4H3/t9?,10-,11+,12?
InChIKeyAWWRZLFQNOGQJJ-WSVSKBAQSA-N
MW230.35 g/mol
LogP0.58
Rot. Bonds4

About 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol

2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol (PubChem CID 104961371) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol
PubChem CID104961371
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H26N2O2/c1-9(5-12(4,13)8-15)14-6-10(2)16-11(3)7-14/h9-11,15H,5-8,13H2,1-4H3/t9?,10-,11+,12?
InChIKeyAWWRZLFQNOGQJJ-WSVSKBAQSA-N
XLogP0.58
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol (CID 104961371) is 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol is CC(CC(C)(N)CO)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol?
The InChIKey is AWWRZLFQNOGQJJ-WSVSKBAQSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(5-12(4,13)8-15)14-6-10(2)16-11(3)7-14/h9-11,15H,5-8,13H2,1-4H3/t9?,10-,11+,12?.
What are the key properties of 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol?
2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol is sourced from PubChem (CID 104961371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).