(1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine

C16H23N — CID 89231670

IUPAC(1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine
SMILES[H]/N=C(/C=c1/ccc(CC)c/c1=C/C)C(C)(C)C
InChIInChI=1S/C16H23N/c1-6-12-8-9-14(13(7-2)10-12)11-15(17)16(3,4)5/h7-11,17H,6H2,1-5H3/b13-7-,14-11-,17-15-
InChIKeyARZTWOUKJZYPKB-VPPGXRHISA-N
MW229.37 g/mol
LogP2.90
Rot. Bonds2

About (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine

(1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine (PubChem CID 89231670) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound Name(1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine
PubChem CID89231670
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine
SMILES[H]/N=C(/C=c1/ccc(CC)c/c1=C/C)C(C)(C)C
InChIInChI=1S/C16H23N/c1-6-12-8-9-14(13(7-2)10-12)11-15(17)16(3,4)5/h7-11,17H,6H2,1-5H3/b13-7-,14-11-,17-15-
InChIKeyARZTWOUKJZYPKB-VPPGXRHISA-N
XLogP2.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine?
The IUPAC name of (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine (CID 89231670) is (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine.
What is the SMILES notation for (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine?
The canonical SMILES for (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine is [H]/N=C(/C=c1/ccc(CC)c/c1=C/C)C(C)(C)C.
What is the InChIKey of (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine?
The InChIKey is ARZTWOUKJZYPKB-VPPGXRHISA-N. The full InChI is InChI=1S/C16H23N/c1-6-12-8-9-14(13(7-2)10-12)11-15(17)16(3,4)5/h7-11,17H,6H2,1-5H3/b13-7-,14-11-,17-15-.
What are the key properties of (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine?
(1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine has a molecular weight of 229.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 89231670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).