2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide

C15H23IN2 — CID 6603246

IUPAC2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide
SMILESI.[H]N=c1c2c(n(CCCC)c3c1CCC3)CCC2
InChIInChI=1S/C15H22N2.HI/c1-2-3-10-17-13-8-4-6-11(13)15(16)12-7-5-9-14(12)17;/h16H,2-10H2,1H3;1H
InChIKeyXVTJONSYHGLUEQ-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.36
Rot. Bonds3

About 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide

2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide (PubChem CID 6603246) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide.

Molecular Properties

Compound Name2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide
PubChem CID6603246
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC Name2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide
SMILESI.[H]N=c1c2c(n(CCCC)c3c1CCC3)CCC2
InChIInChI=1S/C15H22N2.HI/c1-2-3-10-17-13-8-4-6-11(13)15(16)12-7-5-9-14(12)17;/h16H,2-10H2,1H3;1H
InChIKeyXVTJONSYHGLUEQ-UHFFFAOYSA-N
XLogP3.36
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide?
The IUPAC name of 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide (CID 6603246) is 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide.
What is the SMILES notation for 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide?
The canonical SMILES for 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide is I.[H]N=c1c2c(n(CCCC)c3c1CCC3)CCC2.
What is the InChIKey of 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide?
The InChIKey is XVTJONSYHGLUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.HI/c1-2-3-10-17-13-8-4-6-11(13)15(16)12-7-5-9-14(12)17;/h16H,2-10H2,1H3;1H.
What are the key properties of 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide?
2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide has a molecular weight of 358.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide is sourced from PubChem (CID 6603246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).