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

C14H23N3 — CID 63776620

IUPAC4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
SMILESCC(CCCN)N1CCN(C)c2ccccc21
InChIInChI=1S/C14H23N3/c1-12(6-5-9-15)17-11-10-16(2)13-7-3-4-8-14(13)17/h3-4,7-8,12H,5-6,9-11,15H2,1-2H3
InChIKeyRAACHZLPRLPJCG-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.07
Rot. Bonds4

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

4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine (PubChem CID 63776620) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
PubChem CID63776620
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
SMILESCC(CCCN)N1CCN(C)c2ccccc21
InChIInChI=1S/C14H23N3/c1-12(6-5-9-15)17-11-10-16(2)13-7-3-4-8-14(13)17/h3-4,7-8,12H,5-6,9-11,15H2,1-2H3
InChIKeyRAACHZLPRLPJCG-UHFFFAOYSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylpiperazine
CID 7096
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
1-(2-Fluorophenyl)piperazine
CID 70529
N,N'-Diphenylethylenediamine
CID 67422
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984
1-(3-Fluorophenyl)piperazine
CID 77418
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,2-Ethanediamine, N1-phenyl-
CID 74270
1-(4-Fluorophenyl)piperazine
CID 75260
2-(4-Methylpiperazin-1-yl)aniline
CID 286547
4-(4-Ethylpiperazin-1-yl)aniline
CID 936738
1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-
CID 74271

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
The IUPAC name of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine (CID 63776620) is 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine.
What is the SMILES notation for 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
The canonical SMILES for 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine is CC(CCCN)N1CCN(C)c2ccccc21.
What is the InChIKey of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
The InChIKey is RAACHZLPRLPJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(6-5-9-15)17-11-10-16(2)13-7-3-4-8-14(13)17/h3-4,7-8,12H,5-6,9-11,15H2,1-2H3.
What are the key properties of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine is sourced from PubChem (CID 63776620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).