3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol

C11H18N2O2 — CID 75524437

IUPAC3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol
SMILESCc1cccc(N(CCO)CCCO)n1
InChIInChI=1S/C11H18N2O2/c1-10-4-2-5-11(12-10)13(7-9-15)6-3-8-14/h2,4-5,14-15H,3,6-9H2,1H3
InChIKeyIFFLVIQODPKJCP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.57
Rot. Bonds6

About 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol

3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol (PubChem CID 75524437) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol
PubChem CID75524437
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol
SMILESCc1cccc(N(CCO)CCCO)n1
InChIInChI=1S/C11H18N2O2/c1-10-4-2-5-11(12-10)13(7-9-15)6-3-8-14/h2,4-5,14-15H,3,6-9H2,1H3
InChIKeyIFFLVIQODPKJCP-UHFFFAOYSA-N
XLogP0.57
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol (CID 75524437) is 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol is Cc1cccc(N(CCO)CCCO)n1.
What is the InChIKey of 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol?
The InChIKey is IFFLVIQODPKJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10-4-2-5-11(12-10)13(7-9-15)6-3-8-14/h2,4-5,14-15H,3,6-9H2,1H3.
What are the key properties of 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol?
3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-(6-methyl-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 75524437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).