3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine

C16H21N3 — CID 107357266

IUPAC3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1cnc2ccccc2n1
InChIInChI=1S/C16H21N3/c1-4-9-17-15(10-12(2)3)16-11-18-13-7-5-6-8-14(13)19-16/h5-8,11,15,17H,2,4,9-10H2,1,3H3
InChIKeyQFDRGUQZAQQMNN-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.64
Rot. Bonds6

About 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine

3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine (PubChem CID 107357266) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine
PubChem CID107357266
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1cnc2ccccc2n1
InChIInChI=1S/C16H21N3/c1-4-9-17-15(10-12(2)3)16-11-18-13-7-5-6-8-14(13)19-16/h5-8,11,15,17H,2,4,9-10H2,1,3H3
InChIKeyQFDRGUQZAQQMNN-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine
CID 114755354
N-[2-(furan-2-yl)-1-quinoxalin-2-ylethyl]propan-1-amine
CID 107357381
N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
CID 107356998
1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003795
N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357477
N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357164
N-methyl-2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356897
N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine
CID 79178919
1-(2-tert-butylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004229
N-propyl-1-quinoxalin-2-ylpentan-2-amine
CID 63198228
2-(1-chloropentan-2-yl)quinoxaline
CID 174360163
(4-methyl-1-quinoxalin-2-ylpentyl)hydrazine
CID 107357839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine (CID 107357266) is 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine is C=C(C)CC(NCCC)c1cnc2ccccc2n1.
What is the InChIKey of 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine?
The InChIKey is QFDRGUQZAQQMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-9-17-15(10-12(2)3)16-11-18-13-7-5-6-8-14(13)19-16/h5-8,11,15,17H,2,4,9-10H2,1,3H3.
What are the key properties of 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine?
3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine is sourced from PubChem (CID 107357266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).