carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium

C11H24NW8Y- — CID 161086942

IUPACcarbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium
SMILESCC.CC1CN2CCCC1C2.[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[Y]
InChIInChI=1S/C8H15N.C2H6.CH3.8W.Y/c1-7-5-9-4-2-3-8(7)6-9;1-2;;;;;;;;;;/h7-8H,2-6H2,1H3;1-2H3;1H3;;;;;;;;;/q;;-1;;;;;;;;;
InChIKeyLESGMDUVAGQDDK-UHFFFAOYSA-N
MW1729.95 g/mol
LogP2.80
Rot. Bonds

About carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium

carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium (PubChem CID 161086942) has the molecular formula C11H24NW8Y- and a molecular weight of 1729.95 g/mol. Its IUPAC name is carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium
PubChem CID161086942
Molecular FormulaC11H24NW8Y-
Molecular Weight1729.95 g/mol
Exact Mass1730.70
IUPAC Namecarbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium
SMILESCC.CC1CN2CCCC1C2.[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[Y]
InChIInChI=1S/C8H15N.C2H6.CH3.8W.Y/c1-7-5-9-4-2-3-8(7)6-9;1-2;;;;;;;;;;/h7-8H,2-6H2,1H3;1-2H3;1H3;;;;;;;;;/q;;-1;;;;;;;;;
InChIKeyLESGMDUVAGQDDK-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001729.95
LogP ≤ 52.80
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

(5R,6S)-1-azabicyclo[3.2.1]octan-6-ol
CID 45087323
methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane
CID 158724020
10-methyl-8-azatricyclo[6.2.1.02,6]undecane
CID 54154861
(4R)-1-azabicyclo[3.3.1]nonan-4-amine
CID 14502093
6-propoxy-1-azabicyclo[3.2.1]octane
CID 19848699
1-azabicyclo[3.3.1]nonan-4-amine;methane
CID 87724410
N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine
CID 83817171
3-cyclopentyl-1,4-dimethylpyrrolidine
CID 155424989
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
CID 143899908
1,3,4-trimethylazepane
CID 59081993
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium?
The IUPAC name of carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium (CID 161086942) is carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium.
What is the SMILES notation for carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium?
The canonical SMILES for carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium is CC.CC1CN2CCCC1C2.[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[Y].
What is the InChIKey of carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium?
The InChIKey is LESGMDUVAGQDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6.CH3.8W.Y/c1-7-5-9-4-2-3-8(7)6-9;1-2;;;;;;;;;;/h7-8H,2-6H2,1H3;1-2H3;1H3;;;;;;;;;/q;;-1;;;;;;;;;.
What are the key properties of carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium?
carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium has a molecular weight of 1729.95 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;6-methyl-1-azabicyclo[3.2.1]octane;tungsten;yttrium is sourced from PubChem (CID 161086942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).