(1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane

C9H17N — CID 637988

IUPAC(1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane
SMILESCN1[C@@H]2CCCC[C@H]1CC2
InChIInChI=1S/C9H17N/c1-10-8-4-2-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3/t8-,9+
InChIKeyQIZXIOOEJHJIAS-DTORHVGOSA-N
MW139.24 g/mol
LogP2.02
Rot. Bonds

About (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane

(1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane (PubChem CID 637988) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name(1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane
PubChem CID637988
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane
SMILESCN1[C@@H]2CCCC[C@H]1CC2
InChIInChI=1S/C9H17N/c1-10-8-4-2-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3/t8-,9+
InChIKeyQIZXIOOEJHJIAS-DTORHVGOSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane?
The IUPAC name of (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane (CID 637988) is (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane.
What is the SMILES notation for (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane?
The canonical SMILES for (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane is CN1[C@@H]2CCCC[C@H]1CC2.
What is the InChIKey of (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane?
The InChIKey is QIZXIOOEJHJIAS-DTORHVGOSA-N. The full InChI is InChI=1S/C9H17N/c1-10-8-4-2-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3/t8-,9+.
What are the key properties of (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane?
(1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane has a molecular weight of 139.24 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-9-methyl-9-azabicyclo[4.2.1]nonane is sourced from PubChem (CID 637988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).