3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium

C13H22NY- — CID 59813161

IUPAC3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium
SMILES[CH2-]C(CC)=C1CC2CCC(C1)N2CC.[Y]
InChIInChI=1S/C13H22N.Y/c1-4-10(3)11-8-12-6-7-13(9-11)14(12)5-2;/h12-13H,3-9H2,1-2H3;/q-1;
InChIKeyDIUOFAJHGGJQBV-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.17
Rot. Bonds2

About 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium

3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium (PubChem CID 59813161) has the molecular formula C13H22NY- and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium.

Molecular Properties

Compound Name3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium
PubChem CID59813161
Molecular FormulaC13H22NY-
Molecular Weight281.23 g/mol
Exact Mass281.08
IUPAC Name3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium
SMILES[CH2-]C(CC)=C1CC2CCC(C1)N2CC.[Y]
InChIInChI=1S/C13H22N.Y/c1-4-10(3)11-8-12-6-7-13(9-11)14(12)5-2;/h12-13H,3-9H2,1-2H3;/q-1;
InChIKeyDIUOFAJHGGJQBV-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

8-Methyl-3-methylene-8-azabicyclo[3.2.1]octane
CID 145355
2,5-Dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine
CID 134992735
(2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine
CID 134996456
8-Methyl-3-propylidene-8-azabicyclo[3.2.1]octane
CID 20594127
3-Butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium
CID 59813155
8-Methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride
CID 67877656
3-Propan-2-ylidene-8-azabicyclo[3.2.1]octane
CID 89041767
(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane
CID 89337063
8-Tert-butyl-3-methylidene-8-azabicyclo[3.2.1]octane
CID 89628757
5,6,7-Trimethyl-1,2,3,5,8,8a-hexahydroindolizine
CID 89670020
1,2-Dimethyl-4-propan-2-ylidenepiperidine
CID 89678622
6,7-Dimethyl-1,2,3,5,8,8a-hexahydroindolizine
CID 89752519

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium?
The IUPAC name of 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium (CID 59813161) is 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium.
What is the SMILES notation for 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium?
The canonical SMILES for 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium is [CH2-]C(CC)=C1CC2CCC(C1)N2CC.[Y].
What is the InChIKey of 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium?
The InChIKey is DIUOFAJHGGJQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N.Y/c1-4-10(3)11-8-12-6-7-13(9-11)14(12)5-2;/h12-13H,3-9H2,1-2H3;/q-1;.
What are the key properties of 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium?
3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium has a molecular weight of 281.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylidene-8-ethyl-8-azabicyclo[3.2.1]octane;yttrium is sourced from PubChem (CID 59813161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).