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

C9H20N2O2 — CID 131209513

IUPAC3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol
SMILESCC1OCCN(C(CN)CO)C1C
InChIInChI=1S/C9H20N2O2/c1-7-8(2)13-4-3-11(7)9(5-10)6-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyROTUWQYRFDHTPS-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.58
Rot. Bonds3

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

3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol (PubChem CID 131209513) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol
PubChem CID131209513
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol
SMILESCC1OCCN(C(CN)CO)C1C
InChIInChI=1S/C9H20N2O2/c1-7-8(2)13-4-3-11(7)9(5-10)6-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyROTUWQYRFDHTPS-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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Related Compounds

(2R,3R)-2,3-dimethyl-4-propan-2-ylmorpholine
CID 59817853
2-(2,3-dimethylmorpholin-4-yl)propanethioamide
CID 131187038
3-amino-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 104710882
3-amino-2-(2-ethylpiperidin-1-yl)propan-1-ol
CID 104710817
3-(2,3-dimethylmorpholin-4-yl)propan-1-ol
CID 131152382
3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
CID 104711092
2-(2,3-dimethylmorpholin-4-yl)ethanethioamide
CID 130816236
2,3-dimethylmorpholine-4-sulfinic acid
CID 89262144
ethane;(2R)-2,3,4-trimethylmorpholine
CID 143986046
3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 104710885
2,3-dimethyl-4-(2-methylidenebutyl)morpholine
CID 131132113
[(2S,3S)-2,4-dimethylmorpholin-3-yl]methanol
CID 155290860

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol (CID 131209513) is 3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol is CC1OCCN(C(CN)CO)C1C.
What is the InChIKey of 3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol?
The InChIKey is ROTUWQYRFDHTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7-8(2)13-4-3-11(7)9(5-10)6-12/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol?
3-amino-2-(2,3-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 3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 131209513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).