N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine

C14H19N3O — CID 47430216

IUPACN-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine
SMILESCOCC(C)CNc1nc2ccccc2nc1C
InChIInChI=1S/C14H19N3O/c1-10(9-18-3)8-15-14-11(2)16-12-6-4-5-7-13(12)17-14/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyITJOGHJOTMHXJX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.63
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine

N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine (PubChem CID 47430216) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine
PubChem CID47430216
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine
SMILESCOCC(C)CNc1nc2ccccc2nc1C
InChIInChI=1S/C14H19N3O/c1-10(9-18-3)8-15-14-11(2)16-12-6-4-5-7-13(12)17-14/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyITJOGHJOTMHXJX-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-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-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine (CID 47430216) is N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine is COCC(C)CNc1nc2ccccc2nc1C.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine?
The InChIKey is ITJOGHJOTMHXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(9-18-3)8-15-14-11(2)16-12-6-4-5-7-13(12)17-14/h4-7,10H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine?
N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 47430216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).