2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol

C9H20N2O2 — CID 64798114

IUPAC2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
SMILESCC1CN(CC(N)CO)C(C)CO1
InChIInChI=1S/C9H20N2O2/c1-7-6-13-8(2)3-11(7)4-9(10)5-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyFOCRQCCLRMOVMF-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.58
Rot. Bonds3

About 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol

2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol (PubChem CID 64798114) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
PubChem CID64798114
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
SMILESCC1CN(CC(N)CO)C(C)CO1
InChIInChI=1S/C9H20N2O2/c1-7-6-13-8(2)3-11(7)4-9(10)5-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyFOCRQCCLRMOVMF-UHFFFAOYSA-N
XLogP-0.58
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol (CID 64798114) is 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol is CC1CN(CC(N)CO)C(C)CO1.
What is the InChIKey of 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol?
The InChIKey is FOCRQCCLRMOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7-6-13-8(2)3-11(7)4-9(10)5-12/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol?
2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol has a molecular weight of 188.27 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 64798114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).