(1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane

C8H15N — CID 143715084

IUPAC(1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane
SMILESC[C@@H]1C[C@]2(C)CNC[C@H]12
InChIInChI=1S/C8H15N/c1-6-3-8(2)5-9-4-7(6)8/h6-7,9H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyLNLAWSIOXFXEFK-BWZBUEFSSA-N
MW125.22 g/mol
LogP1.25
Rot. Bonds

About (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane

(1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane (PubChem CID 143715084) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane
PubChem CID143715084
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane
SMILESC[C@@H]1C[C@]2(C)CNC[C@H]12
InChIInChI=1S/C8H15N/c1-6-3-8(2)5-9-4-7(6)8/h6-7,9H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyLNLAWSIOXFXEFK-BWZBUEFSSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethylbicyclo[2.1.0]pentane
CID 91176619
1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
CID 138707050
(6S)-2,2-diethyl-6-methylpiperazine
CID 82416009
4-cyclopropyl-3-fluoro-3-methylpyrrolidine
CID 115011539
6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 130919289
4-cyclopentyl-3-fluoro-3-methylpyrrolidine
CID 115013913
(1S,5S)-6,6-dibromo-3-azabicyclo[3.1.0]hexane
CID 125424367
1-methyl-3-azabicyclo[3.2.1]octane
CID 55286397
(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine
CID 130186897
ethane;7-methyl-5-azaspiro[2.5]octane
CID 144927405
(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 118444596
(4R)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 135170137

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane?
The IUPAC name of (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane (CID 143715084) is (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane is C[C@@H]1C[C@]2(C)CNC[C@H]12.
What is the InChIKey of (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane?
The InChIKey is LNLAWSIOXFXEFK-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H15N/c1-6-3-8(2)5-9-4-7(6)8/h6-7,9H,3-5H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane?
(1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane has a molecular weight of 125.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 143715084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).