3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane

C12H21N — CID 89258092

IUPAC3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane
SMILESCC1C2NC3C(C)C(C3C)C1C2C
InChIInChI=1S/C12H21N/c1-5-9-6(2)11(5)13-12-7(3)10(9)8(12)4/h5-13H,1-4H3
InChIKeySHYKQTDPFYRDDU-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.13
Rot. Bonds

About 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane

3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane (PubChem CID 89258092) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane.

Molecular Properties

Compound Name3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane
PubChem CID89258092
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane
SMILESCC1C2NC3C(C)C(C3C)C1C2C
InChIInChI=1S/C12H21N/c1-5-9-6(2)11(5)13-12-7(3)10(9)8(12)4/h5-13H,1-4H3
InChIKeySHYKQTDPFYRDDU-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane?
The IUPAC name of 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane (CID 89258092) is 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane.
What is the SMILES notation for 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane?
The canonical SMILES for 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane is CC1C2NC3C(C)C(C3C)C1C2C.
What is the InChIKey of 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane?
The InChIKey is SHYKQTDPFYRDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-9-6(2)11(5)13-12-7(3)10(9)8(12)4/h5-13H,1-4H3.
What are the key properties of 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane?
3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane has a molecular weight of 179.31 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8,9-tetramethyl-5-azatricyclo[4.1.1.12,4]nonane is sourced from PubChem (CID 89258092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).