1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol

C9H21NO3 — CID 59003364

IUPAC1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol
SMILESCOCCN(CC(C)O)CC(C)O
InChIInChI=1S/C9H21NO3/c1-8(11)6-10(4-5-13-3)7-9(2)12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyXWUNRWWMTXUTCK-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.30
Rot. Bonds7

About 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol

1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol (PubChem CID 59003364) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol
PubChem CID59003364
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol
SMILESCOCCN(CC(C)O)CC(C)O
InChIInChI=1S/C9H21NO3/c1-8(11)6-10(4-5-13-3)7-9(2)12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyXWUNRWWMTXUTCK-UHFFFAOYSA-N
XLogP-0.30
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol (CID 59003364) is 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol is COCCN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol?
The InChIKey is XWUNRWWMTXUTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-8(11)6-10(4-5-13-3)7-9(2)12/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol?
1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol has a molecular weight of 191.27 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(2-methoxyethyl)amino]propan-2-ol is sourced from PubChem (CID 59003364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).