N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine

C11H19N3O2 — CID 107381462

IUPACN-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine
SMILESCNCc1cnc(OCCOC(C)C)cn1
InChIInChI=1S/C11H19N3O2/c1-9(2)15-4-5-16-11-8-13-10(6-12-3)7-14-11/h7-9,12H,4-6H2,1-3H3
InChIKeyKFRCULOVSNIHLD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.00
Rot. Bonds7

About N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine

N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine (PubChem CID 107381462) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine
PubChem CID107381462
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine
SMILESCNCc1cnc(OCCOC(C)C)cn1
InChIInChI=1S/C11H19N3O2/c1-9(2)15-4-5-16-11-8-13-10(6-12-3)7-14-11/h7-9,12H,4-6H2,1-3H3
InChIKeyKFRCULOVSNIHLD-UHFFFAOYSA-N
XLogP1.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine 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-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine (CID 107381462) is N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine is CNCc1cnc(OCCOC(C)C)cn1.
What is the InChIKey of N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine?
The InChIKey is KFRCULOVSNIHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)15-4-5-16-11-8-13-10(6-12-3)7-14-11/h7-9,12H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine?
N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 107381462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).