(2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane

C9H15Cl2N — CID 131119150

IUPAC(2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCN1C2CC[C@@H](Cl)C1CC[C@H]2Cl
InChIInChI=1S/C9H15Cl2N/c1-12-8-4-2-6(10)9(12)5-3-7(8)11/h6-9H,2-5H2,1H3/t6-,7-,8?,9?/m1/s1
InChIKeyRCKKGQPWYOJWCB-PZYMCFGQSA-N
MW208.13 g/mol
LogP2.46
Rot. Bonds

About (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane

(2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 131119150) has the molecular formula C9H15Cl2N and a molecular weight of 208.13 g/mol. Its IUPAC name is (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID131119150
Molecular FormulaC9H15Cl2N
Molecular Weight208.13 g/mol
Exact Mass207.06
IUPAC Name(2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCN1C2CC[C@@H](Cl)C1CC[C@H]2Cl
InChIInChI=1S/C9H15Cl2N/c1-12-8-4-2-6(10)9(12)5-3-7(8)11/h6-9H,2-5H2,1H3/t6-,7-,8?,9?/m1/s1
InChIKeyRCKKGQPWYOJWCB-PZYMCFGQSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane (CID 131119150) is (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane is CN1C2CC[C@@H](Cl)C1CC[C@H]2Cl.
What is the InChIKey of (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is RCKKGQPWYOJWCB-PZYMCFGQSA-N. The full InChI is InChI=1S/C9H15Cl2N/c1-12-8-4-2-6(10)9(12)5-3-7(8)11/h6-9H,2-5H2,1H3/t6-,7-,8?,9?/m1/s1.
What are the key properties of (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane?
(2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 208.13 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 131119150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).