6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol

C12H20N2O — CID 82976921

IUPAC6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol
SMILESCCN(Cc1ccc(O)cn1)CC(C)C
InChIInChI=1S/C12H20N2O/c1-4-14(8-10(2)3)9-11-5-6-12(15)7-13-11/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyXBSNQHNGUXSLAJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.27
Rot. Bonds5

About 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol

6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol (PubChem CID 82976921) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol
PubChem CID82976921
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol
SMILESCCN(Cc1ccc(O)cn1)CC(C)C
InChIInChI=1S/C12H20N2O/c1-4-14(8-10(2)3)9-11-5-6-12(15)7-13-11/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyXBSNQHNGUXSLAJ-UHFFFAOYSA-N
XLogP2.27
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol (CID 82976921) is 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol is CCN(Cc1ccc(O)cn1)CC(C)C.
What is the InChIKey of 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol?
The InChIKey is XBSNQHNGUXSLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-14(8-10(2)3)9-11-5-6-12(15)7-13-11/h5-7,10,15H,4,8-9H2,1-3H3.
What are the key properties of 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol?
6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol has a molecular weight of 208.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(2-methylpropyl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 82976921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).