3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten

C20H41N2W- — CID 161326255

IUPAC3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten
SMILESCC(C)(C)CCC1CC[N-]C1.CN1CCC(CC(C)(C)C)C1.[W]
InChIInChI=1S/C10H21N.C10H20N.W/c1-10(2,3)7-9-5-6-11(4)8-9;1-10(2,3)6-4-9-5-7-11-8-9;/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;/q;-1;
InChIKeyQPSUVGUITFDEHG-UHFFFAOYSA-N
MW493.40 g/mol
LogP5.58
Rot. Bonds3

About 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten

3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten (PubChem CID 161326255) has the molecular formula C20H41N2W- and a molecular weight of 493.40 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten
PubChem CID161326255
Molecular FormulaC20H41N2W-
Molecular Weight493.40 g/mol
Exact Mass493.28
IUPAC Name3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten
SMILESCC(C)(C)CCC1CC[N-]C1.CN1CCC(CC(C)(C)C)C1.[W]
InChIInChI=1S/C10H21N.C10H20N.W/c1-10(2,3)7-9-5-6-11(4)8-9;1-10(2,3)6-4-9-5-7-11-8-9;/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;/q;-1;
InChIKeyQPSUVGUITFDEHG-UHFFFAOYSA-N
XLogP5.58
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
3-(3,3-dimethylpentyl)-1-methylpyrrolidine
CID 166971652
but-2-ynal;3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 145368660
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropyl)pyrrolidine;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 161474195
2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
CID 59948989
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
CID 58283754
3-ethyl-1-methylpyrrolidine;methane
CID 161184146

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten?
The IUPAC name of 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten (CID 161326255) is 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten.
What is the SMILES notation for 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten?
The canonical SMILES for 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten is CC(C)(C)CCC1CC[N-]C1.CN1CCC(CC(C)(C)C)C1.[W].
What is the InChIKey of 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten?
The InChIKey is QPSUVGUITFDEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C10H20N.W/c1-10(2,3)7-9-5-6-11(4)8-9;1-10(2,3)6-4-9-5-7-11-8-9;/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;/q;-1;.
What are the key properties of 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten?
3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten has a molecular weight of 493.40 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten is sourced from PubChem (CID 161326255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).