4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine

C20H29N3 — CID 130445200

IUPAC4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine
SMILESC=C1C2=C(N=CCN2CC)C(C)=C(C)/C1=N\C(CC)=C(/C)CC
InChIInChI=1S/C20H29N3/c1-8-13(4)17(9-2)22-18-14(5)15(6)19-20(16(18)7)23(10-3)12-11-21-19/h11H,7-10,12H2,1-6H3/b17-13+,22-18+
InChIKeyMENUCVTVERXCBN-USVXEUOASA-N
MW311.47 g/mol
LogP5.05
Rot. Bonds4

About 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine

4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine (PubChem CID 130445200) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine.

Molecular Properties

Compound Name4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine
PubChem CID130445200
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine
SMILESC=C1C2=C(N=CCN2CC)C(C)=C(C)/C1=N\C(CC)=C(/C)CC
InChIInChI=1S/C20H29N3/c1-8-13(4)17(9-2)22-18-14(5)15(6)19-20(16(18)7)23(10-3)12-11-21-19/h11H,7-10,12H2,1-6H3/b17-13+,22-18+
InChIKeyMENUCVTVERXCBN-USVXEUOASA-N
XLogP5.05
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine?
The IUPAC name of 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine (CID 130445200) is 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine.
What is the SMILES notation for 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine?
The canonical SMILES for 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine is C=C1C2=C(N=CCN2CC)C(C)=C(C)/C1=N\C(CC)=C(/C)CC.
What is the InChIKey of 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine?
The InChIKey is MENUCVTVERXCBN-USVXEUOASA-N. The full InChI is InChI=1S/C20H29N3/c1-8-13(4)17(9-2)22-18-14(5)15(6)19-20(16(18)7)23(10-3)12-11-21-19/h11H,7-10,12H2,1-6H3/b17-13+,22-18+.
What are the key properties of 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine?
4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine has a molecular weight of 311.47 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7,8-dimethyl-N-[(E)-4-methylhex-3-en-3-yl]-5-methylidene-3H-quinoxalin-6-imine is sourced from PubChem (CID 130445200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).