1-azatricyclo[7.3.1.05,13]trideca-4,6-diene

C12H17N — CID 18436386

IUPAC1-azatricyclo[7.3.1.05,13]trideca-4,6-diene
SMILESC1=CC2=CCCN3CCCC(C1)C23
InChIInChI=1S/C12H17N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4,6,11-12H,2-3,5,7-9H2
InChIKeyHTAXKWZQYDZWBU-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.36
Rot. Bonds

About 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene

1-azatricyclo[7.3.1.05,13]trideca-4,6-diene (PubChem CID 18436386) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-4,6-diene
PubChem CID18436386
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-4,6-diene
SMILESC1=CC2=CCCN3CCCC(C1)C23
InChIInChI=1S/C12H17N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4,6,11-12H,2-3,5,7-9H2
InChIKeyHTAXKWZQYDZWBU-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene (CID 18436386) is 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene is C1=CC2=CCCN3CCCC(C1)C23.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene?
The InChIKey is HTAXKWZQYDZWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4,6,11-12H,2-3,5,7-9H2.
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene?
1-azatricyclo[7.3.1.05,13]trideca-4,6-diene has a molecular weight of 175.28 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[7.3.1.05,13]trideca-4,6-diene is sourced from PubChem (CID 18436386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).