(1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane

C12H22N2 — CID 11159879

IUPAC(1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
SMILESCN1C[C@H]2C[C@@H](C1)[C@H]1CCCCN1C2
InChIInChI=1S/C12H22N2/c1-13-7-10-6-11(9-13)12-4-2-3-5-14(12)8-10/h10-12H,2-9H2,1H3/t10-,11+,12-/m1/s1
InChIKeyJHVZGAIDVLLSEV-GRYCIOLGSA-N
MW194.32 g/mol
LogP1.42
Rot. Bonds

About (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane

(1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane (PubChem CID 11159879) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane.

Molecular Properties

Compound Name(1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
PubChem CID11159879
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
SMILESCN1C[C@H]2C[C@@H](C1)[C@H]1CCCCN1C2
InChIInChI=1S/C12H22N2/c1-13-7-10-6-11(9-13)12-4-2-3-5-14(12)8-10/h10-12H,2-9H2,1H3/t10-,11+,12-/m1/s1
InChIKeyJHVZGAIDVLLSEV-GRYCIOLGSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane?
The IUPAC name of (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane (CID 11159879) is (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane.
What is the SMILES notation for (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane?
The canonical SMILES for (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane is CN1C[C@H]2C[C@@H](C1)[C@H]1CCCCN1C2.
What is the InChIKey of (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane?
The InChIKey is JHVZGAIDVLLSEV-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H22N2/c1-13-7-10-6-11(9-13)12-4-2-3-5-14(12)8-10/h10-12H,2-9H2,1H3/t10-,11+,12-/m1/s1.
What are the key properties of (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane?
(1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane has a molecular weight of 194.32 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane is sourced from PubChem (CID 11159879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).