(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane

C6H11N — CID 168742834

IUPAC(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC1[C@H]2CN[C@@H]1C2
InChIInChI=1S/C6H11N/c1-4-5-2-6(4)7-3-5/h4-7H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyMUNJHJGJKLXZCX-YSLANXFLSA-N
MW97.16 g/mol
LogP0.61
Rot. Bonds

About (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane

(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane (PubChem CID 168742834) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane
PubChem CID168742834
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC1[C@H]2CN[C@@H]1C2
InChIInChI=1S/C6H11N/c1-4-5-2-6(4)7-3-5/h4-7H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyMUNJHJGJKLXZCX-YSLANXFLSA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane (CID 168742834) is (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane is CC1[C@H]2CN[C@@H]1C2.
What is the InChIKey of (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane?
The InChIKey is MUNJHJGJKLXZCX-YSLANXFLSA-N. The full InChI is InChI=1S/C6H11N/c1-4-5-2-6(4)7-3-5/h4-7H,2-3H2,1H3/t4?,5-,6-/m1/s1.
What are the key properties of (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane?
(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane has a molecular weight of 97.16 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 168742834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).