N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine

C13H23N — CID 143872638

IUPACN-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine
SMILESC=C/C=C(\N=C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C13H23N/c1-8-9-11(14-7)13(5,6)10-12(2,3)4/h8-9H,1,7,10H2,2-6H3/b11-9-
InChIKeyWQPIUJZXZUEFQP-LUAWRHEFSA-N
MW193.33 g/mol
LogP4.22
Rot. Bonds4

About N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine

N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine (PubChem CID 143872638) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine
PubChem CID143872638
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine
SMILESC=C/C=C(\N=C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C13H23N/c1-8-9-11(14-7)13(5,6)10-12(2,3)4/h8-9H,1,7,10H2,2-6H3/b11-9-
InChIKeyWQPIUJZXZUEFQP-LUAWRHEFSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.22
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 N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine?
The IUPAC name of N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine (CID 143872638) is N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine.
What is the SMILES notation for N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine?
The canonical SMILES for N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine is C=C/C=C(\N=C)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine?
The InChIKey is WQPIUJZXZUEFQP-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H23N/c1-8-9-11(14-7)13(5,6)10-12(2,3)4/h8-9H,1,7,10H2,2-6H3/b11-9-.
What are the key properties of N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine?
N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine has a molecular weight of 193.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine is sourced from PubChem (CID 143872638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).