ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide

C11H22N2O — CID 153349343

IUPACethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC.CNCC12CC(NC(C)=O)(C1)C2
InChIInChI=1S/C9H16N2O.C2H6/c1-7(12)11-9-3-8(4-9,5-9)6-10-2;1-2/h10H,3-6H2,1-2H3,(H,11,12);1-2H3
InChIKeyLREMCMHURJKMKR-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds3

About ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide

ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 153349343) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Nameethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID153349343
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC.CNCC12CC(NC(C)=O)(C1)C2
InChIInChI=1S/C9H16N2O.C2H6/c1-7(12)11-9-3-8(4-9,5-9)6-10-2;1-2/h10H,3-6H2,1-2H3,(H,11,12);1-2H3
InChIKeyLREMCMHURJKMKR-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide (CID 153349343) is ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide is CC.CNCC12CC(NC(C)=O)(C1)C2.
What is the InChIKey of ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is LREMCMHURJKMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-7(12)11-9-3-8(4-9,5-9)6-10-2;1-2/h10H,3-6H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide?
ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 153349343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).