(1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane

C11H20N2 — CID 89142286

IUPAC(1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane
SMILESCCN1CCN2C(C1)[C@@H]1CC[C@H]2C1
InChIInChI=1S/C11H20N2/c1-2-12-5-6-13-10-4-3-9(7-10)11(13)8-12/h9-11H,2-8H2,1H3/t9-,10+,11?/m1/s1
InChIKeyUAZFRMUTVDFVCA-JKIOLJMWSA-N
MW180.29 g/mol
LogP1.17
Rot. Bonds1

About (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane

(1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane (PubChem CID 89142286) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name(1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane
PubChem CID89142286
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane
SMILESCCN1CCN2C(C1)[C@@H]1CC[C@H]2C1
InChIInChI=1S/C11H20N2/c1-2-12-5-6-13-10-4-3-9(7-10)11(13)8-12/h9-11H,2-8H2,1H3/t9-,10+,11?/m1/s1
InChIKeyUAZFRMUTVDFVCA-JKIOLJMWSA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane
CID 88971570
2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane
CID 90937023
1-azatricyclo[4.2.0.02,4]octane
CID 131843917
1-azatricyclo[5.1.0.02,4]octane
CID 130224597
1,5-diethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 89161720
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
CID 742968
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
(2R)-4-ethyl-1-hydroxy-2-methylpiperazine
CID 89081113
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
CID 170581839

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane?
The IUPAC name of (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane (CID 89142286) is (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane?
The canonical SMILES for (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane is CCN1CCN2C(C1)[C@@H]1CC[C@H]2C1.
What is the InChIKey of (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane?
The InChIKey is UAZFRMUTVDFVCA-JKIOLJMWSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-12-5-6-13-10-4-3-9(7-10)11(13)8-12/h9-11H,2-8H2,1H3/t9-,10+,11?/m1/s1.
What are the key properties of (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane?
(1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane has a molecular weight of 180.29 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 89142286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).