N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine

C13H23N — CID 146529154

IUPACN-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(\C=C(/C)CC)C(C)(C)C
InChIInChI=1S/C13H23N/c1-7-11(3)9-12(10-14-8-2)13(4,5)6/h8-10H,7H2,1-6H3/b11-9+,12-10+,14-8+
InChIKeyAODNZQSLHCNGKO-FMCULIJASA-N
MW193.33 g/mol
LogP4.36
Rot. Bonds3

About N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine

N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine (PubChem CID 146529154) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine
PubChem CID146529154
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(\C=C(/C)CC)C(C)(C)C
InChIInChI=1S/C13H23N/c1-7-11(3)9-12(10-14-8-2)13(4,5)6/h8-10H,7H2,1-6H3/b11-9+,12-10+,14-8+
InChIKeyAODNZQSLHCNGKO-FMCULIJASA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.36
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-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine (CID 146529154) is N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine is C/C=N/C=C(\C=C(/C)CC)C(C)(C)C.
What is the InChIKey of N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine?
The InChIKey is AODNZQSLHCNGKO-FMCULIJASA-N. The full InChI is InChI=1S/C13H23N/c1-7-11(3)9-12(10-14-8-2)13(4,5)6/h8-10H,7H2,1-6H3/b11-9+,12-10+,14-8+.
What are the key properties of N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine?
N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine has a molecular weight of 193.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine is sourced from PubChem (CID 146529154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).