7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine

C12H18N4 — CID 89344936

IUPAC7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine
SMILES[H]/N=C1\C(C)=C2N=C(C)C(C)NC2=C(C)C1N
InChIInChI=1S/C12H18N4/c1-5-9(13)10(14)6(2)12-11(5)15-7(3)8(4)16-12/h7,9,14-15H,13H2,1-4H3/b14-10+
InChIKeyBPBXECFRVLRPGF-GXDHUFHOSA-N
MW218.30 g/mol
LogP1.35
Rot. Bonds

About 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine

7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine (PubChem CID 89344936) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine.

Molecular Properties

Compound Name7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine
PubChem CID89344936
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine
SMILES[H]/N=C1\C(C)=C2N=C(C)C(C)NC2=C(C)C1N
InChIInChI=1S/C12H18N4/c1-5-9(13)10(14)6(2)12-11(5)15-7(3)8(4)16-12/h7,9,14-15H,13H2,1-4H3/b14-10+
InChIKeyBPBXECFRVLRPGF-GXDHUFHOSA-N
XLogP1.35
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine?
The IUPAC name of 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine (CID 89344936) is 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine.
What is the SMILES notation for 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine?
The canonical SMILES for 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine is [H]/N=C1\C(C)=C2N=C(C)C(C)NC2=C(C)C1N.
What is the InChIKey of 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine?
The InChIKey is BPBXECFRVLRPGF-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-9(13)10(14)6(2)12-11(5)15-7(3)8(4)16-12/h7,9,14-15H,13H2,1-4H3/b14-10+.
What are the key properties of 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine?
7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine has a molecular weight of 218.30 g/mol, XLogP of 1.35, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-2,3,5,8-tetramethyl-4,6-dihydro-3H-quinoxalin-6-amine is sourced from PubChem (CID 89344936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).