3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol

C11H23NO2 — CID 123217367

IUPAC3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol
SMILESC=C(C(C)C)N(CCCO)CCCO
InChIInChI=1S/C11H23NO2/c1-10(2)11(3)12(6-4-8-13)7-5-9-14/h10,13-14H,3-9H2,1-2H3
InChIKeyKLGUYFPHOMFTEZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.22
Rot. Bonds8

About 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol

3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol (PubChem CID 123217367) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol
PubChem CID123217367
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol
SMILESC=C(C(C)C)N(CCCO)CCCO
InChIInChI=1S/C11H23NO2/c1-10(2)11(3)12(6-4-8-13)7-5-9-14/h10,13-14H,3-9H2,1-2H3
InChIKeyKLGUYFPHOMFTEZ-UHFFFAOYSA-N
XLogP1.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol (CID 123217367) is 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol is C=C(C(C)C)N(CCCO)CCCO.
What is the InChIKey of 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol?
The InChIKey is KLGUYFPHOMFTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)11(3)12(6-4-8-13)7-5-9-14/h10,13-14H,3-9H2,1-2H3.
What are the key properties of 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol?
3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(3-methylbut-1-en-2-yl)amino]propan-1-ol is sourced from PubChem (CID 123217367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).