2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone

C15H25NO — CID 876812

IUPAC2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
SMILESCN(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/t11-,12+,13?,15?
InChIKeyZGOKCQNIYHOWQK-DOOHLRMFSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds3

About 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone

2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone (PubChem CID 876812) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
PubChem CID876812
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
SMILESCN(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/t11-,12+,13?,15?
InChIKeyZGOKCQNIYHOWQK-DOOHLRMFSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone (CID 876812) is 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone is CN(C)CC(=O)C12CC3C[C@@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The InChIKey is ZGOKCQNIYHOWQK-DOOHLRMFSA-N. 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/t11-,12+,13?,15?.
What are the key properties of 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone has a molecular weight of 235.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone is sourced from PubChem (CID 876812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).