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

C14H23NO — CID 876860

IUPAC2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
SMILESCNCC(=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/t10-,11+,12?,14?
InChIKeyQUKHPESKBXBATR-KCXRBIIJSA-N
MW221.34 g/mol
LogP2.38
Rot. Bonds3

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

2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone (PubChem CID 876860) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
PubChem CID876860
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
SMILESCNCC(=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/t10-,11+,12?,14?
InChIKeyQUKHPESKBXBATR-KCXRBIIJSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone (CID 876860) is 2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone is CNCC(=O)C12CC3C[C@@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of 2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The InChIKey is QUKHPESKBXBATR-KCXRBIIJSA-N. 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/t10-,11+,12?,14?.
What are the key properties of 2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone has a molecular weight of 221.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone is sourced from PubChem (CID 876860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).