(5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine

C15H25N — CID 134526812

IUPAC(5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine
SMILESC/C1=N/C(C)=C/C(C)C(C)/C=C(\C)C(C)C1
InChIInChI=1S/C15H25N/c1-10-7-11(2)13(4)9-15(6)16-14(5)8-12(10)3/h7-8,10,12-13H,9H2,1-6H3/b11-7+,14-8+,16-15-
InChIKeyAYXLVMUKQAFAEH-PBIZLWCASA-N
MW219.37 g/mol
LogP4.61
Rot. Bonds

About (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine

(5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine (PubChem CID 134526812) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine.

Molecular Properties

Compound Name(5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine
PubChem CID134526812
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine
SMILESC/C1=N/C(C)=C/C(C)C(C)/C=C(\C)C(C)C1
InChIInChI=1S/C15H25N/c1-10-7-11(2)13(4)9-15(6)16-14(5)8-12(10)3/h7-8,10,12-13H,9H2,1-6H3/b11-7+,14-8+,16-15-
InChIKeyAYXLVMUKQAFAEH-PBIZLWCASA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine?
The IUPAC name of (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine (CID 134526812) is (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine.
What is the SMILES notation for (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine?
The canonical SMILES for (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine is C/C1=N/C(C)=C/C(C)C(C)/C=C(\C)C(C)C1.
What is the InChIKey of (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine?
The InChIKey is AYXLVMUKQAFAEH-PBIZLWCASA-N. The full InChI is InChI=1S/C15H25N/c1-10-7-11(2)13(4)9-15(6)16-14(5)8-12(10)3/h7-8,10,12-13H,9H2,1-6H3/b11-7+,14-8+,16-15-.
What are the key properties of (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine?
(5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine has a molecular weight of 219.37 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-2,4,5,7,8,10-hexamethyl-3,4,7,8-tetrahydroazecine is sourced from PubChem (CID 134526812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).