(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C10H19N — CID 98051800

IUPAC(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2)C1
InChIInChI=1S/C10H19N/c1-9(2)4-8-5-10(3,6-9)7-11-8/h8,11H,4-7H2,1-3H3/t8-,10+/m0/s1
InChIKeyFRAKHUZTNLUGPB-WCBMZHEXSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds

About (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 98051800) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
PubChem CID98051800
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2)C1
InChIInChI=1S/C10H19N/c1-9(2)4-8-5-10(3,6-9)7-11-8/h8,11H,4-7H2,1-3H3/t8-,10+/m0/s1
InChIKeyFRAKHUZTNLUGPB-WCBMZHEXSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123620881
6-methyl-2-azabicyclo[4.2.1]nonane
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CID 106663968
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CID 105455498
(1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 130849467
4,4-dimethyl-2-azabicyclo[3.1.1]heptane
CID 143639105
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
(6S)-2,2,4,4,6-pentamethylazepane
CID 167029164
3-(3,3,5,5-tetramethylcyclohexyl)piperidine
CID 165449949
3,3,5,5-tetramethylazepane
CID 54129538
cyclopropane;hexakis(1,3-dimethylbicyclo[1.1.0]butane);1,1-dimethylcyclopropane;ethane;bis(1-methylbicyclo[1.1.0]butane)
CID 160943515
2-iodo-4,4-dimethylpyrrolidine
CID 163758575

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (CID 98051800) is (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is CC1(C)C[C@H]2C[C@@](C)(CN2)C1.
What is the InChIKey of (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is FRAKHUZTNLUGPB-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)4-8-5-10(3,6-9)7-11-8/h8,11H,4-7H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 153.27 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 98051800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).