2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane

C11H19N — CID 57045795

IUPAC2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane
SMILESCN1C2CCC1C1(C)CCC2C1
InChIInChI=1S/C11H19N/c1-11-6-5-8(7-11)9-3-4-10(11)12(9)2/h8-10H,3-7H2,1-2H3
InChIKeyPREYBWZSYWTBBY-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.27
Rot. Bonds

About 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane

2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane (PubChem CID 57045795) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane.

Molecular Properties

Compound Name2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane
PubChem CID57045795
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane
SMILESCN1C2CCC1C1(C)CCC2C1
InChIInChI=1S/C11H19N/c1-11-6-5-8(7-11)9-3-4-10(11)12(9)2/h8-10H,3-7H2,1-2H3
InChIKeyPREYBWZSYWTBBY-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-methyl-3-oxatricyclo[3.2.1.02,4]octane
CID 141043159
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
(5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane
CID 126692828
(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
CID 131034211
7-methyltricyclo[5.2.1.02,6]dec-3-ene
CID 139693181
7-ethyl-1-methylbicyclo[2.2.1]heptane
CID 143617242
1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol
CID 134961999
N,6-dimethyl-2-azabicyclo[4.1.0]heptan-2-amine
CID 123649008
1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol
CID 57220355
5,10-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenazine
CID 58400586

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane?
The IUPAC name of 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane (CID 57045795) is 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane.
What is the SMILES notation for 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane?
The canonical SMILES for 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane is CN1C2CCC1C1(C)CCC2C1.
What is the InChIKey of 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane?
The InChIKey is PREYBWZSYWTBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-11-6-5-8(7-11)9-3-4-10(11)12(9)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane?
2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane has a molecular weight of 165.28 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane is sourced from PubChem (CID 57045795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).