1,4-diazatricyclo[4.3.1.13,8]undecane

C9H16N2 — CID 18411796

IUPAC1,4-diazatricyclo[4.3.1.13,8]undecane
SMILESC1NC2CC3CC1CN(C3)C2
InChIInChI=1S/C9H16N2/c1-7-2-9-6-11(4-7)5-8(1)3-10-9/h7-10H,1-6H2
InChIKeyJMJUWQIOHYBWPM-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.30
Rot. Bonds

About 1,4-diazatricyclo[4.3.1.13,8]undecane

1,4-diazatricyclo[4.3.1.13,8]undecane (PubChem CID 18411796) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,4-diazatricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name1,4-diazatricyclo[4.3.1.13,8]undecane
PubChem CID18411796
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,4-diazatricyclo[4.3.1.13,8]undecane
SMILESC1NC2CC3CC1CN(C3)C2
InChIInChI=1S/C9H16N2/c1-7-2-9-6-11(4-7)5-8(1)3-10-9/h7-10H,1-6H2
InChIKeyJMJUWQIOHYBWPM-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazatricyclo[4.3.1.13,8]undecane?
The IUPAC name of 1,4-diazatricyclo[4.3.1.13,8]undecane (CID 18411796) is 1,4-diazatricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for 1,4-diazatricyclo[4.3.1.13,8]undecane?
The canonical SMILES for 1,4-diazatricyclo[4.3.1.13,8]undecane is C1NC2CC3CC1CN(C3)C2.
What is the InChIKey of 1,4-diazatricyclo[4.3.1.13,8]undecane?
The InChIKey is JMJUWQIOHYBWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-2-9-6-11(4-7)5-8(1)3-10-9/h7-10H,1-6H2.
What are the key properties of 1,4-diazatricyclo[4.3.1.13,8]undecane?
1,4-diazatricyclo[4.3.1.13,8]undecane has a molecular weight of 152.24 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazatricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 18411796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).