9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane

C10H17N — CID 118068746

IUPAC9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane
SMILESCC1(C)C2CC3NCC1C3C2
InChIInChI=1S/C10H17N/c1-10(2)6-3-7-8(10)5-11-9(7)4-6/h6-9,11H,3-5H2,1-2H3
InChIKeyJXHYLCPAEPHXOH-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.64
Rot. Bonds

About 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane

9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane (PubChem CID 118068746) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane
PubChem CID118068746
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane
SMILESCC1(C)C2CC3NCC1C3C2
InChIInChI=1S/C10H17N/c1-10(2)6-3-7-8(10)5-11-9(7)4-6/h6-9,11H,3-5H2,1-2H3
InChIKeyJXHYLCPAEPHXOH-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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zinc bis(2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 19695024
zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 24943249
(1R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
CID 98083759
(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc
CID 134864548
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 58143174
1,7,7-trimethyl-2-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)bicyclo[2.2.1]heptane
CID 91605552
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane (CID 118068746) is 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane is CC1(C)C2CC3NCC1C3C2.
What is the InChIKey of 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane?
The InChIKey is JXHYLCPAEPHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2)6-3-7-8(10)5-11-9(7)4-6/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane?
9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane has a molecular weight of 151.25 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-azatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 118068746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).