7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane

C11H19N — CID 57115490

IUPAC7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane
SMILESCC1CC2C3CCC(C3)C1N2C
InChIInChI=1S/C11H19N/c1-7-5-10-8-3-4-9(6-8)11(7)12(10)2/h7-11H,3-6H2,1-2H3
InChIKeyZYGLJGPJWNMBSE-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.13
Rot. Bonds

About 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane

7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane (PubChem CID 57115490) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane.

Molecular Properties

Compound Name7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane
PubChem CID57115490
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane
SMILESCC1CC2C3CCC(C3)C1N2C
InChIInChI=1S/C11H19N/c1-7-5-10-8-3-4-9(6-8)11(7)12(10)2/h7-11H,3-6H2,1-2H3
InChIKeyZYGLJGPJWNMBSE-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Azabicyclo(3.2.1)octane, N,2-dimethyl-
CID 47256
3-Azabicyclo(3.2.1)octane, 2-ethyl-N-methyl-
CID 46829
3-Azabicyclo(3.2.1)octane, N,2,4-trimethyl-
CID 46831
3-Azabicyclo(3.2.1)octane, 2,2,3,4-tetramethyl-
CID 47255
3,8-Dimethyl-8-azabicyclo[3.2.1]octane
CID 20469991
7-Azatricyclo[5.3.0.04,8]decane
CID 91155902
4-Methyltropan
CID 129638547
6-Methyl-6-azabicyclo[3.2.2]nonane
CID 12702546
2-Ethyl-1-azabicyclo[3.2.1]octane
CID 18765862
8-Methyl-3-propyl-8-azabicyclo[3.2.1]octane
CID 20594126
3,6,8-Trimethyl-8-azabicyclo[3.2.1]octane
CID 20649380
6,8-Dimethyl-8-azabicyclo[3.2.1]octane
CID 20649381

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane?
The IUPAC name of 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane (CID 57115490) is 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane.
What is the SMILES notation for 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane?
The canonical SMILES for 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane is CC1CC2C3CCC(C3)C1N2C.
What is the InChIKey of 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane?
The InChIKey is ZYGLJGPJWNMBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-7-5-10-8-3-4-9(6-8)11(7)12(10)2/h7-11H,3-6H2,1-2H3.
What are the key properties of 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane?
7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane has a molecular weight of 165.28 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane is sourced from PubChem (CID 57115490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).