(1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane

C9H18N2 — CID 99961668

IUPAC(1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane
SMILESC[C@@H]1[C@H]2CNC[C@@H](C2)CN1C
InChIInChI=1S/C9H18N2/c1-7-9-3-8(4-10-5-9)6-11(7)2/h7-10H,3-6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyZOZTXSUKLSCEGM-IWSPIJDZSA-N
MW154.26 g/mol
LogP0.55
Rot. Bonds

About (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane

(1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 99961668) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID99961668
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane
SMILESC[C@@H]1[C@H]2CNC[C@@H](C2)CN1C
InChIInChI=1S/C9H18N2/c1-7-9-3-8(4-10-5-9)6-11(7)2/h7-10H,3-6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyZOZTXSUKLSCEGM-IWSPIJDZSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane
CID 97178647
tert-butyl (1S,2R,5S)-2-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 129374850
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 34180510
(1S,5S)-3-(2-methoxyethyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98469877
3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane
CID 170375113
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 135393186
(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride
CID 135392599
(5S)-3-ethylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
CID 163809174
(1S,2R,5R)-2,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 59917347
3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one
CID 84650003
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane
CID 143582743

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane (CID 99961668) is (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane is C[C@@H]1[C@H]2CNC[C@@H](C2)CN1C.
What is the InChIKey of (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is ZOZTXSUKLSCEGM-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-9-3-8(4-10-5-9)6-11(7)2/h7-10H,3-6H2,1-2H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane?
(1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 154.26 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 99961668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).