N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine

C9H16N2O — CID 173058020

IUPACN-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine
SMILESCCNC1=CC=CNC1COC
InChIInChI=1S/C9H16N2O/c1-3-10-8-5-4-6-11-9(8)7-12-2/h4-6,9-11H,3,7H2,1-2H3
InChIKeyQLJONRSDQHRVMV-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.61
Rot. Bonds4

About N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine

N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine (PubChem CID 173058020) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine
PubChem CID173058020
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine
SMILESCCNC1=CC=CNC1COC
InChIInChI=1S/C9H16N2O/c1-3-10-8-5-4-6-11-9(8)7-12-2/h4-6,9-11H,3,7H2,1-2H3
InChIKeyQLJONRSDQHRVMV-UHFFFAOYSA-N
XLogP0.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-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-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine?
The IUPAC name of N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine (CID 173058020) is N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine.
What is the SMILES notation for N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine?
The canonical SMILES for N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine is CCNC1=CC=CNC1COC.
What is the InChIKey of N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine?
The InChIKey is QLJONRSDQHRVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-10-8-5-4-6-11-9(8)7-12-2/h4-6,9-11H,3,7H2,1-2H3.
What are the key properties of N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine?
N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine has a molecular weight of 168.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methoxymethyl)-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 173058020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).