(4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium

C10H20N+ — CID 23277963

IUPAC(4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
SMILESC[C@H]1CCC[C@H]2CCC[NH2+][C@@H]21
InChIInChI=1S/C10H19N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h8-11H,2-7H2,1H3/p+1/t8-,9-,10+/m0/s1
InChIKeyUUNKAGONMZHCIP-LPEHRKFASA-O
MW154.28 g/mol
LogP1.15
Rot. Bonds

About (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium

(4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium (PubChem CID 23277963) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium.

Molecular Properties

Compound Name(4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
PubChem CID23277963
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name(4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
SMILESC[C@H]1CCC[C@H]2CCC[NH2+][C@@H]21
InChIInChI=1S/C10H19N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h8-11H,2-7H2,1H3/p+1/t8-,9-,10+/m0/s1
InChIKeyUUNKAGONMZHCIP-LPEHRKFASA-O
XLogP1.15
TPSA16.61 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The IUPAC name of (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium (CID 23277963) is (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium.
What is the SMILES notation for (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The canonical SMILES for (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium is C[C@H]1CCC[C@H]2CCC[NH2+][C@@H]21.
What is the InChIKey of (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
The InChIKey is UUNKAGONMZHCIP-LPEHRKFASA-O. The full InChI is InChI=1S/C10H19N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h8-11H,2-7H2,1H3/p+1/t8-,9-,10+/m0/s1.
What are the key properties of (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium?
(4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium has a molecular weight of 154.28 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium is sourced from PubChem (CID 23277963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).