3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol

C11H18N2O2 — CID 83124087

IUPAC3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
SMILESCNC(C)c1ccc(OCCCO)cn1
InChIInChI=1S/C11H18N2O2/c1-9(12-2)11-5-4-10(8-13-11)15-7-3-6-14/h4-5,8-9,12,14H,3,6-7H2,1-2H3
InChIKeyOALKDJNECVWJNU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.12
Rot. Bonds6

About 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol

3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol (PubChem CID 83124087) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
PubChem CID83124087
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
SMILESCNC(C)c1ccc(OCCCO)cn1
InChIInChI=1S/C11H18N2O2/c1-9(12-2)11-5-4-10(8-13-11)15-7-3-6-14/h4-5,8-9,12,14H,3,6-7H2,1-2H3
InChIKeyOALKDJNECVWJNU-UHFFFAOYSA-N
XLogP1.12
TPSA54.38 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123208
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 83127836
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine
CID 83123383
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
5-(2-fluoroethoxy)-2-propan-2-ylpyridine
CID 58448814
6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol
CID 103867951
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776110
5-(3-methoxypropoxy)-2-propan-2-ylpyridine
CID 58448811
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol?
The IUPAC name of 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol (CID 83124087) is 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol is CNC(C)c1ccc(OCCCO)cn1.
What is the InChIKey of 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol?
The InChIKey is OALKDJNECVWJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(12-2)11-5-4-10(8-13-11)15-7-3-6-14/h4-5,8-9,12,14H,3,6-7H2,1-2H3.
What are the key properties of 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol?
3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 83124087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).