N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine

C11H16N2O — CID 130709602

IUPACN-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine
SMILESCc1ccncc1C(C)NC1COC1
InChIInChI=1S/C11H16N2O/c1-8-3-4-12-5-11(8)9(2)13-10-6-14-7-10/h3-5,9-10,13H,6-7H2,1-2H3
InChIKeySETBLFJRPFMCHE-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.44
Rot. Bonds3

About N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine

N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine (PubChem CID 130709602) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine
PubChem CID130709602
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine
SMILESCc1ccncc1C(C)NC1COC1
InChIInChI=1S/C11H16N2O/c1-8-3-4-12-5-11(8)9(2)13-10-6-14-7-10/h3-5,9-10,13H,6-7H2,1-2H3
InChIKeySETBLFJRPFMCHE-UHFFFAOYSA-N
XLogP1.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine 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 N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine?
The IUPAC name of N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine (CID 130709602) is N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine.
What is the SMILES notation for N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine?
The canonical SMILES for N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine is Cc1ccncc1C(C)NC1COC1.
What is the InChIKey of N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine?
The InChIKey is SETBLFJRPFMCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-3-4-12-5-11(8)9(2)13-10-6-14-7-10/h3-5,9-10,13H,6-7H2,1-2H3.
What are the key properties of N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine?
N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine has a molecular weight of 192.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine is sourced from PubChem (CID 130709602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).