1-quinoxalin-6-ylpropan-2-amine

C11H13N3 — CID 55253948

IUPAC1-quinoxalin-6-ylpropan-2-amine
SMILESCC(N)Cc1ccc2nccnc2c1
InChIInChI=1S/C11H13N3/c1-8(12)6-9-2-3-10-11(7-9)14-5-4-13-10/h2-5,7-8H,6,12H2,1H3
InChIKeySSRKVNBISHUYIF-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.52
Rot. Bonds2

About 1-quinoxalin-6-ylpropan-2-amine

1-quinoxalin-6-ylpropan-2-amine (PubChem CID 55253948) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-quinoxalin-6-ylpropan-2-amine.

Molecular Properties

Compound Name1-quinoxalin-6-ylpropan-2-amine
PubChem CID55253948
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-quinoxalin-6-ylpropan-2-amine
SMILESCC(N)Cc1ccc2nccnc2c1
InChIInChI=1S/C11H13N3/c1-8(12)6-9-2-3-10-11(7-9)14-5-4-13-10/h2-5,7-8H,6,12H2,1H3
InChIKeySSRKVNBISHUYIF-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminopropyl)quinoxalin-2-amine
CID 117291052
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
1-(3-methylquinolin-6-yl)propan-2-amine
CID 83880771
1-(2-propan-2-ylindazol-6-yl)propan-2-amine
CID 84724116
6-(isocyanomethyl)quinoxaline
CID 59166116
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
CID 83888273
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214
N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine
CID 165377973
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-6-ylpropan-2-amine?
The IUPAC name of 1-quinoxalin-6-ylpropan-2-amine (CID 55253948) is 1-quinoxalin-6-ylpropan-2-amine.
What is the SMILES notation for 1-quinoxalin-6-ylpropan-2-amine?
The canonical SMILES for 1-quinoxalin-6-ylpropan-2-amine is CC(N)Cc1ccc2nccnc2c1.
What is the InChIKey of 1-quinoxalin-6-ylpropan-2-amine?
The InChIKey is SSRKVNBISHUYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8(12)6-9-2-3-10-11(7-9)14-5-4-13-10/h2-5,7-8H,6,12H2,1H3.
What are the key properties of 1-quinoxalin-6-ylpropan-2-amine?
1-quinoxalin-6-ylpropan-2-amine has a molecular weight of 187.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-6-ylpropan-2-amine is sourced from PubChem (CID 55253948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).