(5R)-6-methyl-6-azabicyclo[3.1.1]heptane

C7H13N — CID 176941052

IUPAC(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
SMILESCN1C2CCC[C@@H]1C2
InChIInChI=1S/C7H13N/c1-8-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeyGOVWDPLFDPJYED-ULUSZKPHSA-N
MW111.19 g/mol
LogP1.24
Rot. Bonds

About (5R)-6-methyl-6-azabicyclo[3.1.1]heptane

(5R)-6-methyl-6-azabicyclo[3.1.1]heptane (PubChem CID 176941052) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (5R)-6-methyl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
PubChem CID176941052
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
SMILESCN1C2CCC[C@@H]1C2
InChIInChI=1S/C7H13N/c1-8-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeyGOVWDPLFDPJYED-ULUSZKPHSA-N
XLogP1.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-methyl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of (5R)-6-methyl-6-azabicyclo[3.1.1]heptane (CID 176941052) is (5R)-6-methyl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for (5R)-6-methyl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for (5R)-6-methyl-6-azabicyclo[3.1.1]heptane is CN1C2CCC[C@@H]1C2.
What is the InChIKey of (5R)-6-methyl-6-azabicyclo[3.1.1]heptane?
The InChIKey is GOVWDPLFDPJYED-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H13N/c1-8-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3/t6-,7?/m1/s1.
What are the key properties of (5R)-6-methyl-6-azabicyclo[3.1.1]heptane?
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-methyl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 176941052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).