1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine

C13H20N2O2 — CID 167458700

IUPAC1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine
SMILESCOC1CC(Oc2cccnc2CN(C)C)C1
InChIInChI=1S/C13H20N2O2/c1-15(2)9-12-13(5-4-6-14-12)17-11-7-10(8-11)16-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyOTAOFZNHUTXSHH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.70
Rot. Bonds5

About 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine

1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 167458700) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine
PubChem CID167458700
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine
SMILESCOC1CC(Oc2cccnc2CN(C)C)C1
InChIInChI=1S/C13H20N2O2/c1-15(2)9-12-13(5-4-6-14-12)17-11-7-10(8-11)16-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyOTAOFZNHUTXSHH-UHFFFAOYSA-N
XLogP1.70
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine (CID 167458700) is 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine is COC1CC(Oc2cccnc2CN(C)C)C1.
What is the InChIKey of 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is OTAOFZNHUTXSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(2)9-12-13(5-4-6-14-12)17-11-7-10(8-11)16-3/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine?
1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxycyclobutyl)oxy-2-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 167458700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).