N-(quinoxalin-5-ylmethyl)butan-2-amine

C13H17N3 — CID 104614226

IUPACN-(quinoxalin-5-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cccc2nccnc12
InChIInChI=1S/C13H17N3/c1-3-10(2)16-9-11-5-4-6-12-13(11)15-8-7-14-12/h4-8,10,16H,3,9H2,1-2H3
InChIKeyLIBAUUXUUQKIDH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.52
Rot. Bonds4

About N-(quinoxalin-5-ylmethyl)butan-2-amine

N-(quinoxalin-5-ylmethyl)butan-2-amine (PubChem CID 104614226) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(quinoxalin-5-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(quinoxalin-5-ylmethyl)butan-2-amine
PubChem CID104614226
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(quinoxalin-5-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cccc2nccnc12
InChIInChI=1S/C13H17N3/c1-3-10(2)16-9-11-5-4-6-12-13(11)15-8-7-14-12/h4-8,10,16H,3,9H2,1-2H3
InChIKeyLIBAUUXUUQKIDH-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(quinoxalin-5-ylmethylamino)propan-1-ol
CID 104614241
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614216
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
CID 78928581
N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine
CID 104614269
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
5-butan-2-ylquinoxaline
CID 123654553
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
CID 104614230
N-(quinoxalin-5-ylmethyl)cyclopentanamine
CID 104614218
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439

Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-5-ylmethyl)butan-2-amine?
The IUPAC name of N-(quinoxalin-5-ylmethyl)butan-2-amine (CID 104614226) is N-(quinoxalin-5-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(quinoxalin-5-ylmethyl)butan-2-amine?
The canonical SMILES for N-(quinoxalin-5-ylmethyl)butan-2-amine is CCC(C)NCc1cccc2nccnc12.
What is the InChIKey of N-(quinoxalin-5-ylmethyl)butan-2-amine?
The InChIKey is LIBAUUXUUQKIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-10(2)16-9-11-5-4-6-12-13(11)15-8-7-14-12/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of N-(quinoxalin-5-ylmethyl)butan-2-amine?
N-(quinoxalin-5-ylmethyl)butan-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-5-ylmethyl)butan-2-amine is sourced from PubChem (CID 104614226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).