1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide

C11H18N2 — CID 131160771

IUPAC1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide
SMILESCC(NC#N)C1CC2CCC1CC2
InChIInChI=1S/C11H18N2/c1-8(13-7-12)11-6-9-2-4-10(11)5-3-9/h8-11,13H,2-6H2,1H3
InChIKeyZJRCXCKTOPXTBW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.27
Rot. Bonds2

About 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide

1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide (PubChem CID 131160771) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide
PubChem CID131160771
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide
SMILESCC(NC#N)C1CC2CCC1CC2
InChIInChI=1S/C11H18N2/c1-8(13-7-12)11-6-9-2-4-10(11)5-3-9/h8-11,13H,2-6H2,1H3
InChIKeyZJRCXCKTOPXTBW-UHFFFAOYSA-N
XLogP2.27
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-cyanoacetamide
CID 98150839
[(1S)-1-cyclohexylethyl]cyanamide
CID 81385212
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80598331
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]propanedinitrile
CID 11252164
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
1-(2-bicyclo[2.2.2]octanyl)-N-ethylprop-2-yn-1-amine
CID 131160154
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide
CID 43080895

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide?
The IUPAC name of 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide (CID 131160771) is 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide.
What is the SMILES notation for 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide?
The canonical SMILES for 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide is CC(NC#N)C1CC2CCC1CC2.
What is the InChIKey of 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide?
The InChIKey is ZJRCXCKTOPXTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(13-7-12)11-6-9-2-4-10(11)5-3-9/h8-11,13H,2-6H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide?
1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide has a molecular weight of 178.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide is sourced from PubChem (CID 131160771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).