(1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane

C11H22N2 — CID 96627762

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

About (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane

(1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane (PubChem CID 96627762) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name(1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane
PubChem CID96627762
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane
SMILESCN1CCCC[C@@H]2CCNCC[C@H]21
InChIInChI=1S/C11H22N2/c1-13-9-3-2-4-10-5-7-12-8-6-11(10)13/h10-12H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyIQYPGXPSMUMDGJ-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

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Related Compounds

(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
CID 96627763
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane
CID 145369418
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 82418150
1-(2-methoxyethyl)-2-piperidin-4-ylazepane
CID 64851835
4-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 83479742
(2S)-2-[4-(azacyclododec-2-yl)cyclohexyl]-1-methyl-azacyclododecane
CID 90429318
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
1-(3-methoxypropyl)-2-piperidin-4-ylazepane
CID 64852585
1-methyl-6-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200204

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane?
The IUPAC name of (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane (CID 96627762) is (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane.
What is the SMILES notation for (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane?
The canonical SMILES for (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane is CN1CCCC[C@@H]2CCNCC[C@H]21.
What is the InChIKey of (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane?
The InChIKey is IQYPGXPSMUMDGJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22N2/c1-13-9-3-2-4-10-5-7-12-8-6-11(10)13/h10-12H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane?
(1R,7R)-2-methyl-2,10-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 (1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane is sourced from PubChem (CID 96627762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).