1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol

C11H18N2O2 — CID 80629194

IUPAC1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
SMILESCc1cc(CO)cnc1N(C)CC(C)O
InChIInChI=1S/C11H18N2O2/c1-8-4-10(7-14)5-12-11(8)13(3)6-9(2)15/h4-5,9,14-15H,6-7H2,1-3H3
InChIKeyFNGKUBYOOCBNFV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.70
Rot. Bonds4

About 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol

1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol (PubChem CID 80629194) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
PubChem CID80629194
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
SMILESCc1cc(CO)cnc1N(C)CC(C)O
InChIInChI=1S/C11H18N2O2/c1-8-4-10(7-14)5-12-11(8)13(3)6-9(2)15/h4-5,9,14-15H,6-7H2,1-3H3
InChIKeyFNGKUBYOOCBNFV-UHFFFAOYSA-N
XLogP0.70
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol (CID 80629194) is 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol is Cc1cc(CO)cnc1N(C)CC(C)O.
What is the InChIKey of 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol?
The InChIKey is FNGKUBYOOCBNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-4-10(7-14)5-12-11(8)13(3)6-9(2)15/h4-5,9,14-15H,6-7H2,1-3H3.
What are the key properties of 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol?
1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol is sourced from PubChem (CID 80629194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).