(3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine

C16H27N — CID 123794526

IUPAC(3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine
SMILES[H]/N=C(C)\C=C(/C=C(/C)C(C)=CCC)C(C)(C)C
InChIInChI=1S/C16H27N/c1-8-9-12(2)13(3)10-15(11-14(4)17)16(5,6)7/h9-11,17H,8H2,1-7H3/b12-9?,13-10-,15-11+,17-14-
InChIKeyOZRFZGSJBIHVLM-SDKVQUOUSA-N
MW233.40 g/mol
LogP5.30
Rot. Bonds4

About (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine

(3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine (PubChem CID 123794526) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine
PubChem CID123794526
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine
SMILES[H]/N=C(C)\C=C(/C=C(/C)C(C)=CCC)C(C)(C)C
InChIInChI=1S/C16H27N/c1-8-9-12(2)13(3)10-15(11-14(4)17)16(5,6)7/h9-11,17H,8H2,1-7H3/b12-9?,13-10-,15-11+,17-14-
InChIKeyOZRFZGSJBIHVLM-SDKVQUOUSA-N
XLogP5.30
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.30
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 (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine?
The IUPAC name of (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine (CID 123794526) is (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine.
What is the SMILES notation for (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine?
The canonical SMILES for (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine is [H]/N=C(C)\C=C(/C=C(/C)C(C)=CCC)C(C)(C)C.
What is the InChIKey of (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine?
The InChIKey is OZRFZGSJBIHVLM-SDKVQUOUSA-N. The full InChI is InChI=1S/C16H27N/c1-8-9-12(2)13(3)10-15(11-14(4)17)16(5,6)7/h9-11,17H,8H2,1-7H3/b12-9?,13-10-,15-11+,17-14-.
What are the key properties of (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine?
(3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine has a molecular weight of 233.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-tert-butyl-6,7-dimethyldeca-3,5,7-trien-2-imine is sourced from PubChem (CID 123794526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).