(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane

C8H13N — CID 129230068

IUPAC(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane
SMILESCN1C[C@H]2CC3C[C@@H]1[C@H]32
InChIInChI=1S/C8H13N/c1-9-4-6-2-5-3-7(9)8(5)6/h5-8H,2-4H2,1H3/t5?,6-,7-,8-/m1/s1
InChIKeyHNKNGGAEQKWMAG-UIYHXYAWSA-N
MW123.20 g/mol
LogP0.96
Rot. Bonds

About (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane

(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane (PubChem CID 129230068) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane.

Molecular Properties

Compound Name(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane
PubChem CID129230068
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane
SMILESCN1C[C@H]2CC3C[C@@H]1[C@H]32
InChIInChI=1S/C8H13N/c1-9-4-6-2-5-3-7(9)8(5)6/h5-8H,2-4H2,1H3/t5?,6-,7-,8-/m1/s1
InChIKeyHNKNGGAEQKWMAG-UIYHXYAWSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-propan-2-yl-2-azabicyclo[2.1.1]hexane
CID 174197326
2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130916638
N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane
CID 178011671
3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane
CID 144525202
(16S,21R,23R,25S,28S,30R,32S,34R,37R,39S,41R,46S)-nonadecacyclo[41.11.1.17,19.110,52.116,28.125,37.134,46.03,53.05,9.08,12.014,18.017,21.023,27.026,30.032,36.035,39.041,45.044,48.050,54]hexacontane
CID 134943434
(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride
CID 135392599
2,5,6-trimethyl-2-azabicyclo[2.2.2]octane
CID 20664057
(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 158471466
(1S,2R,5R)-2,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 59917347
ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)
CID 157075887
(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
CID 139364909
(2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)methanamine
CID 130003083

Frequently Asked Questions

What is the IUPAC name of (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane?
The IUPAC name of (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane (CID 129230068) is (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane.
What is the SMILES notation for (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane?
The canonical SMILES for (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane is CN1C[C@H]2CC3C[C@@H]1[C@H]32.
What is the InChIKey of (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane?
The InChIKey is HNKNGGAEQKWMAG-UIYHXYAWSA-N. The full InChI is InChI=1S/C8H13N/c1-9-4-6-2-5-3-7(9)8(5)6/h5-8H,2-4H2,1H3/t5?,6-,7-,8-/m1/s1.
What are the key properties of (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane?
(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane has a molecular weight of 123.20 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane is sourced from PubChem (CID 129230068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).