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

C15H26NO+ — CID 2191401

IUPACdimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
SMILESC[NH+](C)CC(=O)C12CC3C[C@@H](CC[C@H](C3)C1)C2
InChIInChI=1S/C15H25NO/c1-16(2)10-14(17)15-7-11-3-4-12(8-15)6-13(5-11)9-15/h11-13H,3-10H2,1-2H3/p+1/t11-,12-,13?,15?/m1/s1
InChIKeyZGOKCQNIYHOWQK-SIUPQYRZSA-O
MW236.38 g/mol
LogP1.31
Rot. Bonds3

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

dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium (PubChem CID 2191401) has the molecular formula C15H26NO+ and a molecular weight of 236.38 g/mol. Its IUPAC name is dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
PubChem CID2191401
Molecular FormulaC15H26NO+
Molecular Weight236.38 g/mol
Exact Mass236.20
IUPAC Namedimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
SMILESC[NH+](C)CC(=O)C12CC3C[C@@H](CC[C@H](C3)C1)C2
InChIInChI=1S/C15H25NO/c1-16(2)10-14(17)15-7-11-3-4-12(8-15)6-13(5-11)9-15/h11-13H,3-10H2,1-2H3/p+1/t11-,12-,13?,15?/m1/s1
InChIKeyZGOKCQNIYHOWQK-SIUPQYRZSA-O
XLogP1.31
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 3880494
1-(1-Adamantyl)-2-(methylamino)ethanone
CID 84085373
2-(Dimethylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2874616
2-(Methylamino)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2874788
N-methyltricyclo[4.3.1.1~3,8~]undecane-1-carboxamide
CID 4027410
2-(Methylamino)-1-(1-methylcyclohexyl)ethan-1-one
CID 68167693
(1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one
CID 129046183
(1S)-1-(methylamino)-1-(3-tricyclo[4.3.1.13,8]undecanyl)propan-2-one
CID 130310587
2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 876812
2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 876860
2-(dimethylamino)-1-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
CID 2191402
dimethyl-[2-oxo-2-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium
CID 2191403

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
The IUPAC name of dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium (CID 2191401) is dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
The canonical SMILES for dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium is C[NH+](C)CC(=O)C12CC3C[C@@H](CC[C@H](C3)C1)C2.
What is the InChIKey of dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
The InChIKey is ZGOKCQNIYHOWQK-SIUPQYRZSA-O. The full InChI is InChI=1S/C15H25NO/c1-16(2)10-14(17)15-7-11-3-4-12(8-15)6-13(5-11)9-15/h11-13H,3-10H2,1-2H3/p+1/t11-,12-,13?,15?/m1/s1.
What are the key properties of dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium?
dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium has a molecular weight of 236.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-oxo-2-[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethyl]azanium is sourced from PubChem (CID 2191401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).