2-[[butyl(methyl)amino]methyl]pyridin-3-ol

C11H18N2O — CID 21154991

IUPAC2-[[butyl(methyl)amino]methyl]pyridin-3-ol
SMILESCCCCN(C)Cc1ncccc1O
InChIInChI=1S/C11H18N2O/c1-3-4-8-13(2)9-10-11(14)6-5-7-12-10/h5-7,14H,3-4,8-9H2,1-2H3
InChIKeyGTRIKVRGSOKKKJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds5

About 2-[[butyl(methyl)amino]methyl]pyridin-3-ol

2-[[butyl(methyl)amino]methyl]pyridin-3-ol (PubChem CID 21154991) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[[butyl(methyl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[butyl(methyl)amino]methyl]pyridin-3-ol
PubChem CID21154991
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[[butyl(methyl)amino]methyl]pyridin-3-ol
SMILESCCCCN(C)Cc1ncccc1O
InChIInChI=1S/C11H18N2O/c1-3-4-8-13(2)9-10-11(14)6-5-7-12-10/h5-7,14H,3-4,8-9H2,1-2H3
InChIKeyGTRIKVRGSOKKKJ-UHFFFAOYSA-N
XLogP2.02
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)amino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[butyl(methyl)amino]methyl]pyridin-3-ol (CID 21154991) is 2-[[butyl(methyl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[butyl(methyl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[butyl(methyl)amino]methyl]pyridin-3-ol is CCCCN(C)Cc1ncccc1O.
What is the InChIKey of 2-[[butyl(methyl)amino]methyl]pyridin-3-ol?
The InChIKey is GTRIKVRGSOKKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-8-13(2)9-10-11(14)6-5-7-12-10/h5-7,14H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[[butyl(methyl)amino]methyl]pyridin-3-ol?
2-[[butyl(methyl)amino]methyl]pyridin-3-ol has a molecular weight of 194.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 21154991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).