(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine

C15H23N — CID 89038331

IUPAC(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
SMILES[H]/N=C1CC/C=C(/C)CC/C=C(/C)C\C=C\1C
InChIInChI=1S/C15H23N/c1-12-6-4-7-13(2)10-11-14(3)15(16)9-5-8-12/h7-8,11,16H,4-6,9-10H2,1-3H3/b12-8-,13-7-,14-11+,16-15+
InChIKeyMPBYXIYSBNTWNJ-BJYKPFCASA-N
MW217.36 g/mol
LogP4.81
Rot. Bonds

About (2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine

(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine (PubChem CID 89038331) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine.

Molecular Properties

Compound Name(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
PubChem CID89038331
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
SMILES[H]/N=C1CC/C=C(/C)CC/C=C(/C)C\C=C\1C
InChIInChI=1S/C15H23N/c1-12-6-4-7-13(2)10-11-14(3)15(16)9-5-8-12/h7-8,11,16H,4-6,9-10H2,1-3H3/b12-8-,13-7-,14-11+,16-15+
InChIKeyMPBYXIYSBNTWNJ-BJYKPFCASA-N
XLogP4.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
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,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine?
The IUPAC name of (2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine (CID 89038331) is (2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine.
What is the SMILES notation for (2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine?
The canonical SMILES for (2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine is [H]/N=C1CC/C=C(/C)CC/C=C(/C)C\C=C\1C.
What is the InChIKey of (2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine?
The InChIKey is MPBYXIYSBNTWNJ-BJYKPFCASA-N. The full InChI is InChI=1S/C15H23N/c1-12-6-4-7-13(2)10-11-14(3)15(16)9-5-8-12/h7-8,11,16H,4-6,9-10H2,1-3H3/b12-8-,13-7-,14-11+,16-15+.
What are the key properties of (2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine?
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine is sourced from PubChem (CID 89038331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).