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'}

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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).