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

C10H23NO2 — CID 588959

IUPAC1-[butyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCCCCN(CC(C)O)CC(C)O
InChIInChI=1S/C10H23NO2/c1-4-5-6-11(7-9(2)12)8-10(3)13/h9-10,12-13H,4-8H2,1-3H3
InChIKeyUMXUEZVHHYJJQP-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.85
Rot. Bonds7

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

1-[butyl(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 588959) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[butyl(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[butyl(2-hydroxypropyl)amino]propan-2-ol
PubChem CID588959
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-[butyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCCCCN(CC(C)O)CC(C)O
InChIInChI=1S/C10H23NO2/c1-4-5-6-11(7-9(2)12)8-10(3)13/h9-10,12-13H,4-8H2,1-3H3
InChIKeyUMXUEZVHHYJJQP-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[butyl(2-hydroxypropyl)amino]propan-2-ol (CID 588959) is 1-[butyl(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[butyl(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[butyl(2-hydroxypropyl)amino]propan-2-ol is CCCCN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[butyl(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is UMXUEZVHHYJJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-5-6-11(7-9(2)12)8-10(3)13/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-[butyl(2-hydroxypropyl)amino]propan-2-ol?
1-[butyl(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 588959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).