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

C16H28NO2+ — CID 2184124

IUPAC2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
SMILESCOCC[NH2+]CC(=O)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-19-5-4-17-11-15(18)16-8-12-2-3-13(9-16)7-14(6-12)10-16/h12-14,17H,2-11H2,1H3/p+1/t12-,13+,14?,16?
InChIKeyPTFVXRXMZJKARW-KKNUOHPOSA-O
MW266.40 g/mol
LogP1.37
Rot. Bonds6

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

2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium (PubChem CID 2184124) has the molecular formula C16H28NO2+ and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium.

Molecular Properties

Compound Name2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
PubChem CID2184124
Molecular FormulaC16H28NO2+
Molecular Weight266.40 g/mol
Exact Mass266.21
IUPAC Name2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
SMILESCOCC[NH2+]CC(=O)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-19-5-4-17-11-15(18)16-8-12-2-3-13(9-16)7-14(6-12)10-16/h12-14,17H,2-11H2,1H3/p+1/t12-,13+,14?,16?
InChIKeyPTFVXRXMZJKARW-KKNUOHPOSA-O
XLogP1.37
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-methoxyethyl)amino)propan-1-one hydrochloride
CID 2850439
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-methoxyethyl)amino)ethanone hydrochloride
CID 2941897
N-(2-methoxyethyl)tricyclo[4.3.1.1~3,8~]undecane-1-carboxamide
CID 3110946
1-(1-Adamantyl)-2-(2-methoxyethylamino)ethanone
CID 658896
1-(1-Adamantyl)-2-(2-methoxyethylamino)propan-1-one
CID 660986
2-(2-Methoxyethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2873716
1-(1-Adamantyl)-2-(2-methoxyethylamino)propan-1-one chloride
CID 21235387
1-(1-Adamantyl)-2-(2-methoxyethylamino)ethanone chloride
CID 53346817
2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 876823
2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 876860
(1S,8R)-N-(2-methoxyethyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 1975091
2-(2-methoxyethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 2184125

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
The IUPAC name of 2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium (CID 2184124) is 2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium.
What is the SMILES notation for 2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
The canonical SMILES for 2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium is COCC[NH2+]CC(=O)C12CC3C[C@@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of 2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
The InChIKey is PTFVXRXMZJKARW-KKNUOHPOSA-O. The full InChI is InChI=1S/C16H27NO2/c1-19-5-4-17-11-15(18)16-8-12-2-3-13(9-16)7-14(6-12)10-16/h12-14,17H,2-11H2,1H3/p+1/t12-,13+,14?,16?.
What are the key properties of 2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium has a molecular weight of 266.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium is sourced from PubChem (CID 2184124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).