methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium

C14H24NO+ — CID 2191496

IUPACmethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
SMILESC[NH2+]CC(=O)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C14H23NO/c1-15-9-13(16)14-6-10-2-3-11(7-14)5-12(4-10)8-14/h10-12,15H,2-9H2,1H3/p+1/t10-,11+,12?,14?
InChIKeyQUKHPESKBXBATR-KCXRBIIJSA-O
MW222.35 g/mol
LogP1.36
Rot. Bonds3

About methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium

methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium (PubChem CID 2191496) has the molecular formula C14H24NO+ and a molecular weight of 222.35 g/mol. Its IUPAC name is methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
PubChem CID2191496
Molecular FormulaC14H24NO+
Molecular Weight222.35 g/mol
Exact Mass222.19
IUPAC Namemethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
SMILESC[NH2+]CC(=O)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C14H23NO/c1-15-9-13(16)14-6-10-2-3-11(7-14)5-12(4-10)8-14/h10-12,15H,2-9H2,1H3/p+1/t10-,11+,12?,14?
InChIKeyQUKHPESKBXBATR-KCXRBIIJSA-O
XLogP1.36
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium with MolForge

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Related Compounds

1-(1-adamantyl)-2-bromoethanone;ethane
CID 91508009
1-(1-adamantyl)-2-fluoroethanone
CID 4015721
1-(1-adamantyl)-2-chloroethanone
CID 12824145
2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 18590771
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
1-(1-adamantyl)pentan-1-one
CID 526927
3-acetyl-1-(1-adamantyl)pentane-1,4-dione
CID 15890051
2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 98097063
2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone
CID 2874634
2-(dimethylamino)ethyl tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 2836046
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
1-(1-adamantyl)heptan-1-one
CID 12572511

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
The IUPAC name of methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium (CID 2191496) is methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium is C[NH2+]CC(=O)C12CC3C[C@@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
The InChIKey is QUKHPESKBXBATR-KCXRBIIJSA-O. The full InChI is InChI=1S/C14H23NO/c1-15-9-13(16)14-6-10-2-3-11(7-14)5-12(4-10)8-14/h10-12,15H,2-9H2,1H3/p+1/t10-,11+,12?,14?.
What are the key properties of methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium has a molecular weight of 222.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium is sourced from PubChem (CID 2191496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).