N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide

C11H17N5 — CID 116510929

IUPACN-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide
SMILESC/N=C(\NN)N1CCN(C)c2ccccc21
InChIInChI=1S/C11H17N5/c1-13-11(14-12)16-8-7-15(2)9-5-3-4-6-10(9)16/h3-6H,7-8,12H2,1-2H3,(H,13,14)
InChIKeyUCROKHWRHRHYMH-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.39
Rot. Bonds

About N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide

N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide (PubChem CID 116510929) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide
PubChem CID116510929
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide
SMILESC/N=C(\NN)N1CCN(C)c2ccccc21
InChIInChI=1S/C11H17N5/c1-13-11(14-12)16-8-7-15(2)9-5-3-4-6-10(9)16/h3-6H,7-8,12H2,1-2H3,(H,13,14)
InChIKeyUCROKHWRHRHYMH-UHFFFAOYSA-N
XLogP0.39
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
4-methyl-2,3-dihydroquinoxaline-1-carboximidamide
CID 63776820
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
4-methyl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110747567
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
(2-hydrazinyl-3-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777378
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 89467898
N-cyclopropyl-4-methyl-2,3-dihydroquinoxaline-1-carbothioamide
CID 116508695
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one
CID 63778411
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
CID 63776813
2-amino-3,3,3-trifluoro-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 79810901

Frequently Asked Questions

What is the IUPAC name of N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide?
The IUPAC name of N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide (CID 116510929) is N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide.
What is the SMILES notation for N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide?
The canonical SMILES for N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide is C/N=C(\NN)N1CCN(C)c2ccccc21.
What is the InChIKey of N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide?
The InChIKey is UCROKHWRHRHYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-13-11(14-12)16-8-7-15(2)9-5-3-4-6-10(9)16/h3-6H,7-8,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide?
N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide has a molecular weight of 219.29 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',4-dimethyl-2,3-dihydroquinoxaline-1-carboximidamide is sourced from PubChem (CID 116510929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).