2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol

C11H25NO3 — CID 58400541

IUPAC2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol
SMILESCCC(CO)N(C(C)CO)C(C)C(C)O
InChIInChI=1S/C11H25NO3/c1-5-11(7-14)12(8(2)6-13)9(3)10(4)15/h8-11,13-15H,5-7H2,1-4H3
InChIKeyRWNYOLQILRVVOJ-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.21
Rot. Bonds7

About 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol

2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol (PubChem CID 58400541) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol
PubChem CID58400541
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol
SMILESCCC(CO)N(C(C)CO)C(C)C(C)O
InChIInChI=1S/C11H25NO3/c1-5-11(7-14)12(8(2)6-13)9(3)10(4)15/h8-11,13-15H,5-7H2,1-4H3
InChIKeyRWNYOLQILRVVOJ-UHFFFAOYSA-N
XLogP0.21
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol?
The IUPAC name of 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol (CID 58400541) is 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol is CCC(CO)N(C(C)CO)C(C)C(C)O.
What is the InChIKey of 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol?
The InChIKey is RWNYOLQILRVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-5-11(7-14)12(8(2)6-13)9(3)10(4)15/h8-11,13-15H,5-7H2,1-4H3.
What are the key properties of 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol?
2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutan-2-yl(1-hydroxypropan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 58400541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).