(7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine

C24H47N — CID 176648513

IUPAC(7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine
SMILESCC(C)(C)C1CCC/C=C/C(C(C)(C)C)N(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C24H47N/c1-21(2,3)18-16-14-13-15-17-19(22(4,5)6)25(24(10,11)12)20(18)23(7,8)9/h15,17-20H,13-14,16H2,1-12H3/b17-15+
InChIKeyOBWWVEQXQDVHNG-BMRADRMJSA-N
MW349.65 g/mol
LogP7.32
Rot. Bonds

About (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine

(7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine (PubChem CID 176648513) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine.

Molecular Properties

Compound Name(7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine
PubChem CID176648513
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name(7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine
SMILESCC(C)(C)C1CCC/C=C/C(C(C)(C)C)N(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C24H47N/c1-21(2,3)18-16-14-13-15-17-19(22(4,5)6)25(24(10,11)12)20(18)23(7,8)9/h15,17-20H,13-14,16H2,1-12H3/b17-15+
InChIKeyOBWWVEQXQDVHNG-BMRADRMJSA-N
XLogP7.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 57.32
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 (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine?
The IUPAC name of (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine (CID 176648513) is (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine.
What is the SMILES notation for (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine?
The canonical SMILES for (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine is CC(C)(C)C1CCC/C=C/C(C(C)(C)C)N(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine?
The InChIKey is OBWWVEQXQDVHNG-BMRADRMJSA-N. The full InChI is InChI=1S/C24H47N/c1-21(2,3)18-16-14-13-15-17-19(22(4,5)6)25(24(10,11)12)20(18)23(7,8)9/h15,17-20H,13-14,16H2,1-12H3/b17-15+.
What are the key properties of (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine?
(7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine has a molecular weight of 349.65 g/mol, XLogP of 7.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1,2,3,9-tetratert-butyl-2,3,4,5,6,9-hexahydroazonine is sourced from PubChem (CID 176648513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).