(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine

C14H25N — CID 135053282

IUPAC(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
SMILESC/C(=C\C=N\C(C)(C)C)C/C=C/C(C)C
InChIInChI=1S/C14H25N/c1-12(2)8-7-9-13(3)10-11-15-14(4,5)6/h7-8,10-12H,9H2,1-6H3/b8-7+,13-10+,15-11+
InChIKeyCVZXASWTSIOZPV-MRJWISFBSA-N
MW207.36 g/mol
LogP4.40
Rot. Bonds4

About (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine

(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine (PubChem CID 135053282) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine.

Molecular Properties

Compound Name(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
PubChem CID135053282
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
SMILESC/C(=C\C=N\C(C)(C)C)C/C=C/C(C)C
InChIInChI=1S/C14H25N/c1-12(2)8-7-9-13(3)10-11-15-14(4,5)6/h7-8,10-12H,9H2,1-6H3/b8-7+,13-10+,15-11+
InChIKeyCVZXASWTSIOZPV-MRJWISFBSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine?
The IUPAC name of (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine (CID 135053282) is (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine.
What is the SMILES notation for (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine?
The canonical SMILES for (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine is C/C(=C\C=N\C(C)(C)C)C/C=C/C(C)C.
What is the InChIKey of (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine?
The InChIKey is CVZXASWTSIOZPV-MRJWISFBSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2)8-7-9-13(3)10-11-15-14(4,5)6/h7-8,10-12H,9H2,1-6H3/b8-7+,13-10+,15-11+.
What are the key properties of (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine?
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine is sourced from PubChem (CID 135053282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).