5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane

C14H26N2 — CID 141194212

IUPAC5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane
SMILESCC(C)(C)CC1CC2C3CCC(C3)C2NN1
InChIInChI=1S/C14H26N2/c1-14(2,3)8-11-7-12-9-4-5-10(6-9)13(12)16-15-11/h9-13,15-16H,4-8H2,1-3H3
InChIKeyKEANWWXMTAIXMU-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.70
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane

5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane (PubChem CID 141194212) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane
PubChem CID141194212
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane
SMILESCC(C)(C)CC1CC2C3CCC(C3)C2NN1
InChIInChI=1S/C14H26N2/c1-14(2,3)8-11-7-12-9-4-5-10(6-9)13(12)16-15-11/h9-13,15-16H,4-8H2,1-3H3
InChIKeyKEANWWXMTAIXMU-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane
CID 144521814
7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58592691
2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane
CID 153435429
8-(2,2-dimethylpropyl)bicyclo[4.3.1]decane
CID 140778092
(2R,4S)-2-(2,2-dimethylpropyl)piperidin-4-amine
CID 82653251
5-cyclopropyl-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undecane
CID 141201205
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
(4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine
CID 166715420
3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane
CID 101334913
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine
CID 167045827
6-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane
CID 140612172

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane?
The IUPAC name of 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane (CID 141194212) is 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane is CC(C)(C)CC1CC2C3CCC(C3)C2NN1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane?
The InChIKey is KEANWWXMTAIXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-14(2,3)8-11-7-12-9-4-5-10(6-9)13(12)16-15-11/h9-13,15-16H,4-8H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane?
5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane has a molecular weight of 222.38 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 141194212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).