6-azatricyclo[6.1.1.01,6]decane

C9H15N — CID 177199832

IUPAC6-azatricyclo[6.1.1.01,6]decane
SMILESC1CCC23CC(CN2C1)C3
InChIInChI=1S/C9H15N/c1-2-4-10-7-8-5-9(10,3-1)6-8/h8H,1-7H2
InChIKeyZFMSZCVNISIAHY-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.63
Rot. Bonds

About 6-azatricyclo[6.1.1.01,6]decane

6-azatricyclo[6.1.1.01,6]decane (PubChem CID 177199832) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-azatricyclo[6.1.1.01,6]decane.

Molecular Properties

Compound Name6-azatricyclo[6.1.1.01,6]decane
PubChem CID177199832
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-azatricyclo[6.1.1.01,6]decane
SMILESC1CCC23CC(CN2C1)C3
InChIInChI=1S/C9H15N/c1-2-4-10-7-8-5-9(10,3-1)6-8/h8H,1-7H2
InChIKeyZFMSZCVNISIAHY-UHFFFAOYSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-azatricyclo[6.1.1.01,6]decane?
The IUPAC name of 6-azatricyclo[6.1.1.01,6]decane (CID 177199832) is 6-azatricyclo[6.1.1.01,6]decane.
What is the SMILES notation for 6-azatricyclo[6.1.1.01,6]decane?
The canonical SMILES for 6-azatricyclo[6.1.1.01,6]decane is C1CCC23CC(CN2C1)C3.
What is the InChIKey of 6-azatricyclo[6.1.1.01,6]decane?
The InChIKey is ZFMSZCVNISIAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-4-10-7-8-5-9(10,3-1)6-8/h8H,1-7H2.
What are the key properties of 6-azatricyclo[6.1.1.01,6]decane?
6-azatricyclo[6.1.1.01,6]decane has a molecular weight of 137.23 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatricyclo[6.1.1.01,6]decane is sourced from PubChem (CID 177199832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).