2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane

C11H19N — CID 138599466

IUPAC2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane
SMILESCC1(C)CC2NCC3C2C3(C)C1
InChIInChI=1S/C11H19N/c1-10(2)4-8-9-7(5-12-8)11(9,3)6-10/h7-9,12H,4-6H2,1-3H3
InChIKeyVIYIEODQRWARFH-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.03
Rot. Bonds

About 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane

2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane (PubChem CID 138599466) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane.

Molecular Properties

Compound Name2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane
PubChem CID138599466
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane
SMILESCC1(C)CC2NCC3C2C3(C)C1
InChIInChI=1S/C11H19N/c1-10(2)4-8-9-7(5-12-8)11(9,3)6-10/h7-9,12H,4-6H2,1-3H3
InChIKeyVIYIEODQRWARFH-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane?
The IUPAC name of 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane (CID 138599466) is 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane.
What is the SMILES notation for 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane?
The canonical SMILES for 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane is CC1(C)CC2NCC3C2C3(C)C1.
What is the InChIKey of 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane?
The InChIKey is VIYIEODQRWARFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2)4-8-9-7(5-12-8)11(9,3)6-10/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane?
2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane has a molecular weight of 165.28 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane is sourced from PubChem (CID 138599466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).