10-azatricyclo[5.2.1.02,6]decane

C9H15N — CID 130391694

IUPAC10-azatricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(N3)C2C1
InChIInChI=1S/C9H15N/c1-2-6-7(3-1)9-5-4-8(6)10-9/h6-10H,1-5H2
InChIKeyITDOBKZDWIFFIC-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.54
Rot. Bonds

About 10-azatricyclo[5.2.1.02,6]decane

10-azatricyclo[5.2.1.02,6]decane (PubChem CID 130391694) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 10-azatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name10-azatricyclo[5.2.1.02,6]decane
PubChem CID130391694
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name10-azatricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(N3)C2C1
InChIInChI=1S/C9H15N/c1-2-6-7(3-1)9-5-4-8(6)10-9/h6-10H,1-5H2
InChIKeyITDOBKZDWIFFIC-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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40,41,42,43,44-pentazanonacyclo[31.6.1.13,10.112,16.118,25.127,31.04,9.019,24.034,39]tetratetracontane
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4,10-diazatricyclo[5.2.1.02,6]decane
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12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane
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13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane
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(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
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alumane;copper;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
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Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[5.2.1.02,6]decane?
The IUPAC name of 10-azatricyclo[5.2.1.02,6]decane (CID 130391694) is 10-azatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 10-azatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 10-azatricyclo[5.2.1.02,6]decane is C1CC2C3CCC(N3)C2C1.
What is the InChIKey of 10-azatricyclo[5.2.1.02,6]decane?
The InChIKey is ITDOBKZDWIFFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-6-7(3-1)9-5-4-8(6)10-9/h6-10H,1-5H2.
What are the key properties of 10-azatricyclo[5.2.1.02,6]decane?
10-azatricyclo[5.2.1.02,6]decane has a molecular weight of 137.23 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 130391694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).