(2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine

C14H21N — CID 139474050

IUPAC(2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine
SMILESC=C/N=C\C(C=C)=C(C)\C=C(/C)C(C)C
InChIInChI=1S/C14H21N/c1-7-14(10-15-8-2)13(6)9-12(5)11(3)4/h7-11H,1-2H2,3-6H3/b12-9+,14-13+,15-10+
InChIKeyGPNUUMOWKLDBPU-KIIZTWHKSA-N
MW203.33 g/mol
LogP4.31
Rot. Bonds5

About (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine

(2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine (PubChem CID 139474050) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine
PubChem CID139474050
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine
SMILESC=C/N=C\C(C=C)=C(C)\C=C(/C)C(C)C
InChIInChI=1S/C14H21N/c1-7-14(10-15-8-2)13(6)9-12(5)11(3)4/h7-11H,1-2H2,3-6H3/b12-9+,14-13+,15-10+
InChIKeyGPNUUMOWKLDBPU-KIIZTWHKSA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine (CID 139474050) is (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine is C=C/N=C\C(C=C)=C(C)\C=C(/C)C(C)C.
What is the InChIKey of (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine?
The InChIKey is GPNUUMOWKLDBPU-KIIZTWHKSA-N. The full InChI is InChI=1S/C14H21N/c1-7-14(10-15-8-2)13(6)9-12(5)11(3)4/h7-11H,1-2H2,3-6H3/b12-9+,14-13+,15-10+.
What are the key properties of (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine?
(2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine has a molecular weight of 203.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine is sourced from PubChem (CID 139474050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).