(1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane

C10H19N — CID 176801726

IUPAC(1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC(C)C1C[C@H]2CC[C@@H]1CN2
InChIInChI=1S/C10H19N/c1-7(2)10-5-9-4-3-8(10)6-11-9/h7-11H,3-6H2,1-2H3/t8-,9-,10?/m1/s1
InChIKeySTOOKNSGYZBEGG-MGRQHWMJSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds1

About (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane

(1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane (PubChem CID 176801726) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane
PubChem CID176801726
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC(C)C1C[C@H]2CC[C@@H]1CN2
InChIInChI=1S/C10H19N/c1-7(2)10-5-9-4-3-8(10)6-11-9/h7-11H,3-6H2,1-2H3/t8-,9-,10?/m1/s1
InChIKeySTOOKNSGYZBEGG-MGRQHWMJSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
(5S)-2-azabicyclo[2.2.2]octan-5-amine
CID 146429192
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(4S)-2-azabicyclo[2.2.1]heptane;bis(2-methylpropane)
CID 167611095
(1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130423
2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130430
(3S,4aS,8aS)-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 59913049
5-(4-tert-butylphenyl)-2-azabicyclo[2.2.2]octane
CID 171466221
6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 83905624
6-methyl-2-azabicyclo[3.2.2]nonane
CID 163899527
7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane
CID 131652458

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane?
The IUPAC name of (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane (CID 176801726) is (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane is CC(C)C1C[C@H]2CC[C@@H]1CN2.
What is the InChIKey of (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane?
The InChIKey is STOOKNSGYZBEGG-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)10-5-9-4-3-8(10)6-11-9/h7-11H,3-6H2,1-2H3/t8-,9-,10?/m1/s1.
What are the key properties of (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane?
(1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane has a molecular weight of 153.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 176801726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).