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

C9H20N2O2 — CID 104710885

IUPAC3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol
SMILESCC1(C)COCCN1C(CN)CO
InChIInChI=1S/C9H20N2O2/c1-9(2)7-13-4-3-11(9)8(5-10)6-12/h8,12H,3-7,10H2,1-2H3
InChIKeyADTVHHDJZXHVQW-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.58
Rot. Bonds3

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

3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol (PubChem CID 104710885) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol
PubChem CID104710885
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol
SMILESCC1(C)COCCN1C(CN)CO
InChIInChI=1S/C9H20N2O2/c1-9(2)7-13-4-3-11(9)8(5-10)6-12/h8,12H,3-7,10H2,1-2H3
InChIKeyADTVHHDJZXHVQW-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 3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol (CID 104710885) is 3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol is CC1(C)COCCN1C(CN)CO.
What is the InChIKey of 3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol?
The InChIKey is ADTVHHDJZXHVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2)7-13-4-3-11(9)8(5-10)6-12/h8,12H,3-7,10H2,1-2H3.
What are the key properties of 3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol?
3-amino-2-(3,3-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-(3,3-dimethylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 104710885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).