5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine

C13H17N — CID 167041115

IUPAC5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC=C(C(C)(C)C)C1=C
InChIInChI=1S/C13H17N/c1-6-14-12-9-7-8-11(10(12)2)13(3,4)5/h6-9H,1-2H2,3-5H3/b14-12+
InChIKeyUVTJHXNEVFVPMJ-WYMLVPIESA-N
MW187.29 g/mol
LogP3.67
Rot. Bonds1

About 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine

5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 167041115) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID167041115
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC=C(C(C)(C)C)C1=C
InChIInChI=1S/C13H17N/c1-6-14-12-9-7-8-11(10(12)2)13(3,4)5/h6-9H,1-2H2,3-5H3/b14-12+
InChIKeyUVTJHXNEVFVPMJ-WYMLVPIESA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.67
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 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine (CID 167041115) is 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine is C=C/N=C1\C=CC=C(C(C)(C)C)C1=C.
What is the InChIKey of 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is UVTJHXNEVFVPMJ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H17N/c1-6-14-12-9-7-8-11(10(12)2)13(3,4)5/h6-9H,1-2H2,3-5H3/b14-12+.
What are the key properties of 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine?
5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 187.29 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 167041115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).