(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane

C11H22N2 — CID 96627763

IUPAC(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
SMILESCN1CCCC[C@@H]2CCCNC[C@H]21
InChIInChI=1S/C11H22N2/c1-13-8-3-2-5-10-6-4-7-12-9-11(10)13/h10-12H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyNXKCTBSKIYFXGN-GHMZBOCLSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds

About (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane

(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane (PubChem CID 96627763) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
PubChem CID96627763
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
SMILESCN1CCCC[C@@H]2CCCNC[C@H]21
InChIInChI=1S/C11H22N2/c1-13-8-3-2-5-10-6-4-7-12-9-11(10)13/h10-12H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyNXKCTBSKIYFXGN-GHMZBOCLSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane
CID 96627762
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde
CID 87460061
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride
CID 154734095
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 67722841
2-cyclohexyl-1-propan-2-ylpiperazine
CID 64844464
1-methyl-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[3,4-e][1,4]oxazepine
CID 130886927
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 82418150
2-cyclohexyl-1-cyclopentylpiperazine
CID 82936755

Frequently Asked Questions

What is the IUPAC name of (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane?
The IUPAC name of (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane (CID 96627763) is (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane.
What is the SMILES notation for (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane?
The canonical SMILES for (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane is CN1CCCC[C@@H]2CCCNC[C@H]21.
What is the InChIKey of (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane?
The InChIKey is NXKCTBSKIYFXGN-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22N2/c1-13-8-3-2-5-10-6-4-7-12-9-11(10)13/h10-12H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane?
(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane has a molecular weight of 182.31 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane is sourced from PubChem (CID 96627763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).