N-(2-methylbutan-2-yl)quinoxalin-2-amine

C13H17N3 — CID 22341074

IUPACN-(2-methylbutan-2-yl)quinoxalin-2-amine
SMILESCCC(C)(C)Nc1cnc2ccccc2n1
InChIInChI=1S/C13H17N3/c1-4-13(2,3)16-12-9-14-10-7-5-6-8-11(10)15-12/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyPBVUPYQWTSVULZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.23
Rot. Bonds3

About N-(2-methylbutan-2-yl)quinoxalin-2-amine

N-(2-methylbutan-2-yl)quinoxalin-2-amine (PubChem CID 22341074) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)quinoxalin-2-amine
PubChem CID22341074
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(2-methylbutan-2-yl)quinoxalin-2-amine
SMILESCCC(C)(C)Nc1cnc2ccccc2n1
InChIInChI=1S/C13H17N3/c1-4-13(2,3)16-12-9-14-10-7-5-6-8-11(10)15-12/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyPBVUPYQWTSVULZ-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-2-N-quinoxalin-2-ylbutane-1,2-diamine
CID 113284087
2-methyl-2-(quinoxalin-2-ylamino)propanamide
CID 62360239
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
CID 33372985
N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide
CID 115609169
(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
CID 95624706
1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
CID 141390759
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
2-(2-methylbutan-2-ylamino)quinoline-4-carbothioamide
CID 63885317
quinoxalin-2-ylhydrazine;hydrochloride
CID 18995251
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine
CID 106354521
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)quinoxalin-2-amine?
The IUPAC name of N-(2-methylbutan-2-yl)quinoxalin-2-amine (CID 22341074) is N-(2-methylbutan-2-yl)quinoxalin-2-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)quinoxalin-2-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)quinoxalin-2-amine is CCC(C)(C)Nc1cnc2ccccc2n1.
What is the InChIKey of N-(2-methylbutan-2-yl)quinoxalin-2-amine?
The InChIKey is PBVUPYQWTSVULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-13(2,3)16-12-9-14-10-7-5-6-8-11(10)15-12/h5-9H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)quinoxalin-2-amine?
N-(2-methylbutan-2-yl)quinoxalin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)quinoxalin-2-amine is sourced from PubChem (CID 22341074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).