1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol

C12H25NO3 — CID 22483927

IUPAC1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol
SMILESC=CCOC(C)CN(CC(C)O)CC(C)O
InChIInChI=1S/C12H25NO3/c1-5-6-16-12(4)9-13(7-10(2)14)8-11(3)15/h5,10-12,14-15H,1,6-9H2,2-4H3
InChIKeyBQKUHXLIQTYBBO-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.64
Rot. Bonds9

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

1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol (PubChem CID 22483927) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol
PubChem CID22483927
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol
SMILESC=CCOC(C)CN(CC(C)O)CC(C)O
InChIInChI=1S/C12H25NO3/c1-5-6-16-12(4)9-13(7-10(2)14)8-11(3)15/h5,10-12,14-15H,1,6-9H2,2-4H3
InChIKeyBQKUHXLIQTYBBO-UHFFFAOYSA-N
XLogP0.64
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol (CID 22483927) is 1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol is C=CCOC(C)CN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol?
The InChIKey is BQKUHXLIQTYBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-6-16-12(4)9-13(7-10(2)14)8-11(3)15/h5,10-12,14-15H,1,6-9H2,2-4H3.
What are the key properties of 1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol?
1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol is sourced from PubChem (CID 22483927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).