1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine

C11H17N3 — CID 115095772

IUPAC1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine
SMILESCC(C)N1CCNc2c(N)cccc21
InChIInChI=1S/C11H17N3/c1-8(2)14-7-6-13-11-9(12)4-3-5-10(11)14/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeySZMNCKBANSOJBB-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.91
Rot. Bonds1

About 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine

1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine (PubChem CID 115095772) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine.

Molecular Properties

Compound Name1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine
PubChem CID115095772
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine
SMILESCC(C)N1CCNc2c(N)cccc21
InChIInChI=1S/C11H17N3/c1-8(2)14-7-6-13-11-9(12)4-3-5-10(11)14/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeySZMNCKBANSOJBB-UHFFFAOYSA-N
XLogP1.91
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096604
5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 57415940
6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 113393211
1-methyl-3,4-dihydro-2H-quinoxalin-5-ol
CID 115094785
4-methyl-1,2,3,4-tetrahydroquinolin-8-amine
CID 119095098
8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
CID 83839922
8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096601
2-methoxy-3-[4-(2-methylpropyl)piperazin-1-yl]aniline
CID 166176366
4-(piperidin-4-ylidenemethyl)-1-propan-2-yl-2,3-dihydroindole
CID 167254012
2-nitro-3-(4-propan-2-ylpiperazin-1-yl)aniline
CID 80792259
1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride
CID 71711078
8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 115094853

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine?
The IUPAC name of 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine (CID 115095772) is 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine.
What is the SMILES notation for 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine?
The canonical SMILES for 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine is CC(C)N1CCNc2c(N)cccc21.
What is the InChIKey of 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine?
The InChIKey is SZMNCKBANSOJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(2)14-7-6-13-11-9(12)4-3-5-10(11)14/h3-5,8,13H,6-7,12H2,1-2H3.
What are the key properties of 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine?
1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine has a molecular weight of 191.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine is sourced from PubChem (CID 115095772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).