[(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium

C10H20N+ — CID 11882265

IUPAC[(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium
SMILES[NH3+][C@H]1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C10H19N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7,11H2/p+1/t8-,9+,10-/m0/s1
InChIKeyFFROQSBSJYRALS-AEJSXWLSSA-O
MW154.28 g/mol
LogP1.59
Rot. Bonds

About [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium

[(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium (PubChem CID 11882265) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium.

Molecular Properties

Compound Name[(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium
PubChem CID11882265
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name[(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium
SMILES[NH3+][C@H]1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C10H19N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7,11H2/p+1/t8-,9+,10-/m0/s1
InChIKeyFFROQSBSJYRALS-AEJSXWLSSA-O
XLogP1.59
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium with MolForge

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Related Compounds

[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium
CID 7131512
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
tricyclo[11.9.0.05,8]docosane
CID 123241919
tricyclo[4.3.1.12,5]undecane
CID 13070377
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[11.1.0]tetradecane
CID 90981498
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 14026385

Frequently Asked Questions

What is the IUPAC name of [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium?
The IUPAC name of [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium (CID 11882265) is [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium.
What is the SMILES notation for [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium?
The canonical SMILES for [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium is [NH3+][C@H]1CC[C@@H]2CCCC[C@@H]2C1.
What is the InChIKey of [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium?
The InChIKey is FFROQSBSJYRALS-AEJSXWLSSA-O. The full InChI is InChI=1S/C10H19N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7,11H2/p+1/t8-,9+,10-/m0/s1.
What are the key properties of [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium?
[(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium has a molecular weight of 154.28 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium is sourced from PubChem (CID 11882265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).