(6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine

C15H21N — CID 126639128

IUPAC(6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/C=C\C=C1\C=CC(C(C)(C)C)=C\C1=N/C
InChIInChI=1S/C15H21N/c1-6-7-8-12-9-10-13(15(2,3)4)11-14(12)16-5/h6-11H,1-5H3/b7-6-,12-8-,16-14+
InChIKeySOBPWHRNWYBFMO-ZCUAGQAWSA-N
MW215.34 g/mol
LogP4.10
Rot. Bonds1

About (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine

(6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 126639128) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine
PubChem CID126639128
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/C=C\C=C1\C=CC(C(C)(C)C)=C\C1=N/C
InChIInChI=1S/C15H21N/c1-6-7-8-12-9-10-13(15(2,3)4)11-14(12)16-5/h6-11H,1-5H3/b7-6-,12-8-,16-14+
InChIKeySOBPWHRNWYBFMO-ZCUAGQAWSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
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 (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine (CID 126639128) is (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine is C/C=C\C=C1\C=CC(C(C)(C)C)=C\C1=N/C.
What is the InChIKey of (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is SOBPWHRNWYBFMO-ZCUAGQAWSA-N. The full InChI is InChI=1S/C15H21N/c1-6-7-8-12-9-10-13(15(2,3)4)11-14(12)16-5/h6-11H,1-5H3/b7-6-,12-8-,16-14+.
What are the key properties of (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine?
(6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 215.34 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 126639128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).