3-[butyl(3-hydroxypropyl)amino]propan-1-ol

C10H23NO2 — CID 15220046

IUPAC3-[butyl(3-hydroxypropyl)amino]propan-1-ol
SMILESCCCCN(CCCO)CCCO
InChIInChI=1S/C10H23NO2/c1-2-3-6-11(7-4-9-12)8-5-10-13/h12-13H,2-10H2,1H3
InChIKeyRBNVHPGVKOQNNW-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.85
Rot. Bonds9

About 3-[butyl(3-hydroxypropyl)amino]propan-1-ol

3-[butyl(3-hydroxypropyl)amino]propan-1-ol (PubChem CID 15220046) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-[butyl(3-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[butyl(3-hydroxypropyl)amino]propan-1-ol
PubChem CID15220046
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-[butyl(3-hydroxypropyl)amino]propan-1-ol
SMILESCCCCN(CCCO)CCCO
InChIInChI=1S/C10H23NO2/c1-2-3-6-11(7-4-9-12)8-5-10-13/h12-13H,2-10H2,1H3
InChIKeyRBNVHPGVKOQNNW-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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 3-[butyl(3-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[butyl(3-hydroxypropyl)amino]propan-1-ol (CID 15220046) is 3-[butyl(3-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[butyl(3-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[butyl(3-hydroxypropyl)amino]propan-1-ol is CCCCN(CCCO)CCCO.
What is the InChIKey of 3-[butyl(3-hydroxypropyl)amino]propan-1-ol?
The InChIKey is RBNVHPGVKOQNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-2-3-6-11(7-4-9-12)8-5-10-13/h12-13H,2-10H2,1H3.
What are the key properties of 3-[butyl(3-hydroxypropyl)amino]propan-1-ol?
3-[butyl(3-hydroxypropyl)amino]propan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(3-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 15220046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).