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

C14H21IN2 — CID 16682139

IUPAC2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide
SMILESI.[H]N=c1c2c(n(CCC)c3c1CCC3)CCC2
InChIInChI=1S/C14H20N2.HI/c1-2-9-16-12-7-3-5-10(12)14(15)11-6-4-8-13(11)16;/h15H,2-9H2,1H3;1H
InChIKeyICTMUMKECAVRKW-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.97
Rot. Bonds2

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

2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide (PubChem CID 16682139) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide.

Molecular Properties

Compound Name2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide
PubChem CID16682139
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide
SMILESI.[H]N=c1c2c(n(CCC)c3c1CCC3)CCC2
InChIInChI=1S/C14H20N2.HI/c1-2-9-16-12-7-3-5-10(12)14(15)11-6-4-8-13(11)16;/h15H,2-9H2,1H3;1H
InChIKeyICTMUMKECAVRKW-UHFFFAOYSA-N
XLogP2.97
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.97
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-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide?
The IUPAC name of 2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide (CID 16682139) is 2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide.
What is the SMILES notation for 2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide?
The canonical SMILES for 2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide is I.[H]N=c1c2c(n(CCC)c3c1CCC3)CCC2.
What is the InChIKey of 2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide?
The InChIKey is ICTMUMKECAVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.HI/c1-2-9-16-12-7-3-5-10(12)14(15)11-6-4-8-13(11)16;/h15H,2-9H2,1H3;1H.
What are the key properties of 2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide?
2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide has a molecular weight of 344.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine;hydroiodide is sourced from PubChem (CID 16682139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).