formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine

C17H26N4O — CID 142206052

IUPACformaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine
SMILESC/N=c1\c(C)nc2cc(C)c(C)cc2n1C.C=CNC.C=O
InChIInChI=1S/C13H17N3.C3H7N.CH2O/c1-8-6-11-12(7-9(8)2)16(5)13(14-4)10(3)15-11;1-3-4-2;1-2/h6-7H,1-5H3;3-4H,1H2,2H3;1H2/b14-13+;;
InChIKeyCQGDCYAHQDHDFQ-QDBORUFSSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds1

About formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine

formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine (PubChem CID 142206052) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine.

Molecular Properties

Compound Nameformaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine
PubChem CID142206052
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Nameformaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine
SMILESC/N=c1\c(C)nc2cc(C)c(C)cc2n1C.C=CNC.C=O
InChIInChI=1S/C13H17N3.C3H7N.CH2O/c1-8-6-11-12(7-9(8)2)16(5)13(14-4)10(3)15-11;1-3-4-2;1-2/h6-7H,1-5H3;3-4H,1H2,2H3;1H2/b14-13+;;
InChIKeyCQGDCYAHQDHDFQ-QDBORUFSSA-N
XLogP2.19
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3,6,7-pentamethylquinoxalin-2-imine
CID 142206053
4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde
CID 131978086
1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
CID 72710310
N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
CID 46785621
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 175952260
2-(2-chloroethyl)-1,5,6-trimethylbenzimidazole
CID 100587289
5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 141383403
N-methyl-1-(3,6,7-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630375
7,8,10-trimethyl-4-sulfanylidenebenzo[g]pteridin-2-one
CID 102221390
N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84631024
N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane
CID 145375694
[5-[3-(formylcarbamoyl)-6,7-dimethyl-2-methyliminoquinoxalin-1-yl]-3-hydroxypentyl]peroxyphosphinous acid
CID 129235228

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine?
The IUPAC name of formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine (CID 142206052) is formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine.
What is the SMILES notation for formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine?
The canonical SMILES for formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine is C/N=c1\c(C)nc2cc(C)c(C)cc2n1C.C=CNC.C=O.
What is the InChIKey of formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine?
The InChIKey is CQGDCYAHQDHDFQ-QDBORUFSSA-N. The full InChI is InChI=1S/C13H17N3.C3H7N.CH2O/c1-8-6-11-12(7-9(8)2)16(5)13(14-4)10(3)15-11;1-3-4-2;1-2/h6-7H,1-5H3;3-4H,1H2,2H3;1H2/b14-13+;;.
What are the key properties of formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine?
formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine has a molecular weight of 302.42 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-methylethenamine;N,1,3,6,7-pentamethylquinoxalin-2-imine is sourced from PubChem (CID 142206052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).