2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine

C13H21N3 — CID 115096246

IUPAC2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine
SMILESCC(C)N1CC(C)(C)Nc2ccc(N)cc21
InChIInChI=1S/C13H21N3/c1-9(2)16-8-13(3,4)15-11-6-5-10(14)7-12(11)16/h5-7,9,15H,8,14H2,1-4H3
InChIKeyUPKUQLUNBUNEDZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.69
Rot. Bonds1

About 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine

2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine (PubChem CID 115096246) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine
PubChem CID115096246
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine
SMILESCC(C)N1CC(C)(C)Nc2ccc(N)cc21
InChIInChI=1S/C13H21N3/c1-9(2)16-8-13(3,4)15-11-6-5-10(14)7-12(11)16/h5-7,9,15H,8,14H2,1-4H3
InChIKeyUPKUQLUNBUNEDZ-UHFFFAOYSA-N
XLogP2.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.69
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

1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol
CID 130414548
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine
CID 84618446
(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine
CID 57265971
6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride
CID 131637567
6-ethyl-2,2,4-trimethyl-1,3-dihydroquinoxaline
CID 84620438
6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 28693556
(3R)-3-ethyl-3-methyl-1,2-dihydroindol-5-amine
CID 125453278
3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine
CID 66688854
4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol
CID 115095246
2,2,4-trimethyl-1,3-dihydroquinoxaline;hydrochloride
CID 134691155
2-methyl-3H-1,3-benzothiazole-2,6-diamine
CID 68773710
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine?
The IUPAC name of 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine (CID 115096246) is 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine?
The canonical SMILES for 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine is CC(C)N1CC(C)(C)Nc2ccc(N)cc21.
What is the InChIKey of 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine?
The InChIKey is UPKUQLUNBUNEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)16-8-13(3,4)15-11-6-5-10(14)7-12(11)16/h5-7,9,15H,8,14H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine?
2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine has a molecular weight of 219.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine is sourced from PubChem (CID 115096246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).