3-quinoxalin-6-yloxypropan-1-amine

C11H13N3O — CID 82189749

IUPAC3-quinoxalin-6-yloxypropan-1-amine
SMILESNCCCOc1ccc2nccnc2c1
InChIInChI=1S/C11H13N3O/c12-4-1-7-15-9-2-3-10-11(8-9)14-6-5-13-10/h2-3,5-6,8H,1,4,7,12H2
InChIKeyVAXFYDPTPLPIIT-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.36
Rot. Bonds4

About 3-quinoxalin-6-yloxypropan-1-amine

3-quinoxalin-6-yloxypropan-1-amine (PubChem CID 82189749) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-quinoxalin-6-yloxypropan-1-amine.

Molecular Properties

Compound Name3-quinoxalin-6-yloxypropan-1-amine
PubChem CID82189749
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-quinoxalin-6-yloxypropan-1-amine
SMILESNCCCOc1ccc2nccnc2c1
InChIInChI=1S/C11H13N3O/c12-4-1-7-15-9-2-3-10-11(8-9)14-6-5-13-10/h2-3,5-6,8H,1,4,7,12H2
InChIKeyVAXFYDPTPLPIIT-UHFFFAOYSA-N
XLogP1.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
6-sulfanyloxyquinoxaline
CID 123636597
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
CID 45260071
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
CID 67423994
CID 67423994
2-quinoxalin-6-yloxyacetate
CID 3520024
3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
CID 117098165
3,6-bis(3-aminopropoxy)fluoren-9-one
CID 57439340
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626

Frequently Asked Questions

What is the IUPAC name of 3-quinoxalin-6-yloxypropan-1-amine?
The IUPAC name of 3-quinoxalin-6-yloxypropan-1-amine (CID 82189749) is 3-quinoxalin-6-yloxypropan-1-amine.
What is the SMILES notation for 3-quinoxalin-6-yloxypropan-1-amine?
The canonical SMILES for 3-quinoxalin-6-yloxypropan-1-amine is NCCCOc1ccc2nccnc2c1.
What is the InChIKey of 3-quinoxalin-6-yloxypropan-1-amine?
The InChIKey is VAXFYDPTPLPIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-4-1-7-15-9-2-3-10-11(8-9)14-6-5-13-10/h2-3,5-6,8H,1,4,7,12H2.
What are the key properties of 3-quinoxalin-6-yloxypropan-1-amine?
3-quinoxalin-6-yloxypropan-1-amine has a molecular weight of 203.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinoxalin-6-yloxypropan-1-amine is sourced from PubChem (CID 82189749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).