(E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine

C18H25NO — CID 134430475

IUPAC(E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine
SMILESC/C=C/C=N/c1c(C)cc(C(C)C)cc1OC1CCC1
InChIInChI=1S/C18H25NO/c1-5-6-10-19-18-14(4)11-15(13(2)3)12-17(18)20-16-8-7-9-16/h5-6,10-13,16H,7-9H2,1-4H3/b6-5+,19-10+
InChIKeyIHLNQHQDVYEINI-NHDAZHRASA-N
MW271.40 g/mol
LogP5.33
Rot. Bonds5

About (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine

(E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine (PubChem CID 134430475) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine
PubChem CID134430475
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine
SMILESC/C=C/C=N/c1c(C)cc(C(C)C)cc1OC1CCC1
InChIInChI=1S/C18H25NO/c1-5-6-10-19-18-14(4)11-15(13(2)3)12-17(18)20-16-8-7-9-16/h5-6,10-13,16H,7-9H2,1-4H3/b6-5+,19-10+
InChIKeyIHLNQHQDVYEINI-NHDAZHRASA-N
XLogP5.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine?
The IUPAC name of (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine (CID 134430475) is (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine?
The canonical SMILES for (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine is C/C=C/C=N/c1c(C)cc(C(C)C)cc1OC1CCC1.
What is the InChIKey of (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine?
The InChIKey is IHLNQHQDVYEINI-NHDAZHRASA-N. The full InChI is InChI=1S/C18H25NO/c1-5-6-10-19-18-14(4)11-15(13(2)3)12-17(18)20-16-8-7-9-16/h5-6,10-13,16H,7-9H2,1-4H3/b6-5+,19-10+.
What are the key properties of (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine?
(E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine has a molecular weight of 271.40 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine is sourced from PubChem (CID 134430475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).