N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine

C13H21N3 — CID 63778931

IUPACN-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
SMILESCNCCCN1CCN(C)c2ccccc21
InChIInChI=1S/C13H21N3/c1-14-8-5-9-16-11-10-15(2)12-6-3-4-7-13(12)16/h3-4,6-7,14H,5,8-11H2,1-2H3
InChIKeyRROBRTIBRALNFV-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.55
Rot. Bonds4

About N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine

N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine (PubChem CID 63778931) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
PubChem CID63778931
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
SMILESCNCCCN1CCN(C)c2ccccc21
InChIInChI=1S/C13H21N3/c1-14-8-5-9-16-11-10-15(2)12-6-3-4-7-13(12)16/h3-4,6-7,14H,5,8-11H2,1-2H3
InChIKeyRROBRTIBRALNFV-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)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

1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline
CID 63777504
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
CID 63778604
N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]hexan-1-amine
CID 63779164
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 55236342
4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline
CID 63778419
3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine
CID 89268995
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine
CID 64681857
3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine
CID 3057673
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
CID 63776813
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole
CID 71350000

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine (CID 63778931) is N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine is CNCCCN1CCN(C)c2ccccc21.
What is the InChIKey of N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine?
The InChIKey is RROBRTIBRALNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-14-8-5-9-16-11-10-15(2)12-6-3-4-7-13(12)16/h3-4,6-7,14H,5,8-11H2,1-2H3.
What are the key properties of N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine?
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine is sourced from PubChem (CID 63778931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).