(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

C10H19N — CID 23309189

IUPAC(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC1(C)[C@@H]2CC[C@]1(C)CNC2
InChIInChI=1S/C10H19N/c1-9(2)8-4-5-10(9,3)7-11-6-8/h8,11H,4-7H2,1-3H3/t8-,10-/m1/s1
InChIKeyCHRAJVQLWOMYQI-PSASIEDQSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds

About (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (PubChem CID 23309189) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
PubChem CID23309189
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC1(C)[C@@H]2CC[C@]1(C)CNC2
InChIInChI=1S/C10H19N/c1-9(2)8-4-5-10(9,3)7-11-6-8/h8,11H,4-7H2,1-3H3/t8-,10-/m1/s1
InChIKeyCHRAJVQLWOMYQI-PSASIEDQSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;hydrochloride
CID 22875698
1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700
(3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]
CID 170151755
phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 87142437
1-(2-methylpropyl)-3-azabicyclo[3.2.0]heptane
CID 84763447
1-methylbicyclo[2.2.1]heptane-7,7-diol
CID 154099151
1,7-dimethylbicyclo[2.2.1]heptan-7-amine
CID 55289317
1-methyl-3-azabicyclo[3.2.1]octane
CID 55286397
N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine
CID 165487311
1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 84770532
ethane;1-phenyl-3-azabicyclo[3.2.0]heptane
CID 143290504
1,5-dimethyl-3-azabicyclo[3.2.0]heptane
CID 23049848

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (CID 23309189) is (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is CC1(C)[C@@H]2CC[C@]1(C)CNC2.
What is the InChIKey of (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The InChIKey is CHRAJVQLWOMYQI-PSASIEDQSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)8-4-5-10(9,3)7-11-6-8/h8,11H,4-7H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane has a molecular weight of 153.27 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 23309189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).