(9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine

C19H30N2 — CID 166650825

IUPAC(9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine
SMILESC=CC(=C\C)/C1=C/C(C)(C)N/C(=N/C)CC(C)CCC=C1
InChIInChI=1S/C19H30N2/c1-7-16(8-2)17-12-10-9-11-15(3)13-18(20-6)21-19(4,5)14-17/h7-8,10,12,14-15H,1,9,11,13H2,2-6H3,(H,20,21)/b12-10?,16-8+,17-14+
InChIKeyVXJKWSIYALJAMV-CUDNHRBJSA-N
MW286.46 g/mol
LogP4.82
Rot. Bonds2

About (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine

(9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine (PubChem CID 166650825) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine.

Molecular Properties

Compound Name(9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine
PubChem CID166650825
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine
SMILESC=CC(=C\C)/C1=C/C(C)(C)N/C(=N/C)CC(C)CCC=C1
InChIInChI=1S/C19H30N2/c1-7-16(8-2)17-12-10-9-11-15(3)13-18(20-6)21-19(4,5)14-17/h7-8,10,12,14-15H,1,9,11,13H2,2-6H3,(H,20,21)/b12-10?,16-8+,17-14+
InChIKeyVXJKWSIYALJAMV-CUDNHRBJSA-N
XLogP4.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
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 (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine?
The IUPAC name of (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine (CID 166650825) is (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine.
What is the SMILES notation for (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine?
The canonical SMILES for (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine is C=CC(=C\C)/C1=C/C(C)(C)N/C(=N/C)CC(C)CCC=C1.
What is the InChIKey of (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine?
The InChIKey is VXJKWSIYALJAMV-CUDNHRBJSA-N. The full InChI is InChI=1S/C19H30N2/c1-7-16(8-2)17-12-10-9-11-15(3)13-18(20-6)21-19(4,5)14-17/h7-8,10,12,14-15H,1,9,11,13H2,2-6H3,(H,20,21)/b12-10?,16-8+,17-14+.
What are the key properties of (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine?
(9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine has a molecular weight of 286.46 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-N,4,11,11-tetramethyl-9-[(3E)-penta-1,3-dien-3-yl]-1-azacycloundeca-7,9-dien-2-imine is sourced from PubChem (CID 166650825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).