3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane

C12H21N — CID 4702161

IUPAC3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane
SMILESCC12CN3CC(C)(C1)CC(C)(C3)C2
InChIInChI=1S/C12H21N/c1-10-4-11(2)6-12(3,5-10)9-13(7-10)8-11/h4-9H2,1-3H3
InChIKeyMQSIJJSITIEPST-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.52
Rot. Bonds

About 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane

3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane (PubChem CID 4702161) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane
PubChem CID4702161
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane
SMILESCC12CN3CC(C)(C1)CC(C)(C3)C2
InChIInChI=1S/C12H21N/c1-10-4-11(2)6-12(3,5-10)9-13(7-10)8-11/h4-9H2,1-3H3
InChIKeyMQSIJJSITIEPST-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane (CID 4702161) is 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane is CC12CN3CC(C)(C1)CC(C)(C3)C2.
What is the InChIKey of 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane?
The InChIKey is MQSIJJSITIEPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10-4-11(2)6-12(3,5-10)9-13(7-10)8-11/h4-9H2,1-3H3.
What are the key properties of 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane?
3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane has a molecular weight of 179.31 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 4702161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).