3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine

C13H17N3O — CID 43769565

IUPAC3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine
SMILESCOCCCNCc1cnc2ccccc2n1
InChIInChI=1S/C13H17N3O/c1-17-8-4-7-14-9-11-10-15-12-5-2-3-6-13(12)16-11/h2-3,5-6,10,14H,4,7-9H2,1H3
InChIKeyIKGWNUZKLJHJCA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.76
Rot. Bonds6

About 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine

3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine (PubChem CID 43769565) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine
PubChem CID43769565
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine
SMILESCOCCCNCc1cnc2ccccc2n1
InChIInChI=1S/C13H17N3O/c1-17-8-4-7-14-9-11-10-15-12-5-2-3-6-13(12)16-11/h2-3,5-6,10,14H,4,7-9H2,1H3
InChIKeyIKGWNUZKLJHJCA-UHFFFAOYSA-N
XLogP1.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43778393
ethyl 4-(quinoxalin-2-ylmethylamino)butanoate
CID 64578319
2-(quinoxalin-2-ylmethylamino)ethyl carbamate
CID 83211992
N-(2-methoxyethyl)-N'-methyl-N'-(quinoxalin-2-ylmethyl)ethane-1,2-diamine
CID 107355866
N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
CID 83961851
2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 60914777
1-pyridin-4-yl-N-(quinoxalin-2-ylmethyl)methanamine
CID 43769368
2-prop-2-enylsulfanyl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 114187277
2-morpholin-4-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43764194
4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol
CID 106144835
N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine
CID 63821652
2-cyclopropyl-N-(quinoxalin-2-ylmethyl)propan-1-amine
CID 113230822

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine (CID 43769565) is 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine is COCCCNCc1cnc2ccccc2n1.
What is the InChIKey of 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine?
The InChIKey is IKGWNUZKLJHJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-8-4-7-14-9-11-10-15-12-5-2-3-6-13(12)16-11/h2-3,5-6,10,14H,4,7-9H2,1H3.
What are the key properties of 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine?
3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 43769565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).