(3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine

C14H23N — CID 129171196

IUPAC(3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine
SMILESCC1/C=C(C(C)(C)C)\C=C/C/N=C\CC1
InChIInChI=1S/C14H23N/c1-12-7-5-9-15-10-6-8-13(11-12)14(2,3)4/h6,8-9,11-12H,5,7,10H2,1-4H3/b8-6-,13-11+,15-9-
InChIKeyXXMOYBJBEYOFEA-SDGYBTMASA-N
MW205.34 g/mol
LogP4.02
Rot. Bonds

About (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine

(3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine (PubChem CID 129171196) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine.

Molecular Properties

Compound Name(3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine
PubChem CID129171196
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine
SMILESCC1/C=C(C(C)(C)C)\C=C/C/N=C\CC1
InChIInChI=1S/C14H23N/c1-12-7-5-9-15-10-6-8-13(11-12)14(2,3)4/h6,8-9,11-12H,5,7,10H2,1-4H3/b8-6-,13-11+,15-9-
InChIKeyXXMOYBJBEYOFEA-SDGYBTMASA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine?
The IUPAC name of (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine (CID 129171196) is (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine.
What is the SMILES notation for (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine?
The canonical SMILES for (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine is CC1/C=C(C(C)(C)C)\C=C/C/N=C\CC1.
What is the InChIKey of (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine?
The InChIKey is XXMOYBJBEYOFEA-SDGYBTMASA-N. The full InChI is InChI=1S/C14H23N/c1-12-7-5-9-15-10-6-8-13(11-12)14(2,3)4/h6,8-9,11-12H,5,7,10H2,1-4H3/b8-6-,13-11+,15-9-.
What are the key properties of (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine?
(3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine has a molecular weight of 205.34 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-tert-butyl-7-methyl-2,7,8,9-tetrahydroazecine is sourced from PubChem (CID 129171196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).