6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine

C15H18N4 — CID 163660469

IUPAC6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine
SMILES[H]/N=C1/C(/C=C/C)=c2nc(C)c(C)nc2=C(C)/C1=N\C
InChIInChI=1S/C15H18N4/c1-6-7-11-12(16)13(17-5)8(2)14-15(11)19-10(4)9(3)18-14/h6-7,16H,1-5H3/b7-6+,16-12-,17-13+
InChIKeyITYOARRKIKNIRJ-IFLGBTDBSA-N
MW254.34 g/mol
LogP1.10
Rot. Bonds1

About 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine

6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine (PubChem CID 163660469) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine.

Molecular Properties

Compound Name6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine
PubChem CID163660469
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine
SMILES[H]/N=C1/C(/C=C/C)=c2nc(C)c(C)nc2=C(C)/C1=N\C
InChIInChI=1S/C15H18N4/c1-6-7-11-12(16)13(17-5)8(2)14-15(11)19-10(4)9(3)18-14/h6-7,16H,1-5H3/b7-6+,16-12-,17-13+
InChIKeyITYOARRKIKNIRJ-IFLGBTDBSA-N
XLogP1.10
TPSA61.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine
CID 142881759
(2E,4Z)-5-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hepta-2,4-dien-4-amine
CID 88224971
(3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline
CID 88547834
(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
CID 89441659
5,8-Dimethyl-2,3-dihydroquinoxaline-6,7-diamine
CID 123634298
6-[(6-Methylcyclohex-2-en-1-ylidene)amino]-3,4-dimethylidenecyclohexa-1,5-dien-1-amine
CID 124028589
(2,8-Dimethyl-6,7-dihydroquinolin-3-yl)methanamine
CID 135292628
(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-5,6,7,8-tetrahydroquinoline
CID 141975803
(2E,3Z)-2,3-di(ethylidene)quinolin-4-amine;ethane
CID 143448246
(2E,3Z)-2,3-bis(prop-2-enylidene)quinolin-4-amine;ethane
CID 143448248
(1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane
CID 144902560
2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine
CID 145370953

Frequently Asked Questions

What is the IUPAC name of 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine?
The IUPAC name of 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine (CID 163660469) is 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine.
What is the SMILES notation for 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine?
The canonical SMILES for 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine is [H]/N=C1/C(/C=C/C)=c2nc(C)c(C)nc2=C(C)/C1=N\C.
What is the InChIKey of 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine?
The InChIKey is ITYOARRKIKNIRJ-IFLGBTDBSA-N. The full InChI is InChI=1S/C15H18N4/c1-6-7-11-12(16)13(17-5)8(2)14-15(11)19-10(4)9(3)18-14/h6-7,16H,1-5H3/b7-6+,16-12-,17-13+.
What are the key properties of 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine?
6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine has a molecular weight of 254.34 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,3,5-tetramethyl-8-[(E)-prop-1-enyl]quinoxaline-6,7-diimine is sourced from PubChem (CID 163660469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).