2-(3,3-dimethylbutyl)-2-methylpyrrolidine

C11H23N — CID 66466219

IUPAC2-(3,3-dimethylbutyl)-2-methylpyrrolidine
SMILESCC(C)(C)CCC1(C)CCCN1
InChIInChI=1S/C11H23N/c1-10(2,3)7-8-11(4)6-5-9-12-11/h12H,5-9H2,1-4H3
InChIKeySPMIKIHDOUUPNO-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-2-methylpyrrolidine

2-(3,3-dimethylbutyl)-2-methylpyrrolidine (PubChem CID 66466219) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-2-methylpyrrolidine
PubChem CID66466219
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-(3,3-dimethylbutyl)-2-methylpyrrolidine
SMILESCC(C)(C)CCC1(C)CCCN1
InChIInChI=1S/C11H23N/c1-10(2,3)7-8-11(4)6-5-9-12-11/h12H,5-9H2,1-4H3
InChIKeySPMIKIHDOUUPNO-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
CID 83080746
2-methyl-2-(2-methylsulfonylethyl)pyrrolidine
CID 66467821
2-methyl-2-pent-3-ynylpyrrolidine
CID 104806320
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271418
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine
CID 117271549
(2S)-2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine
CID 124515557
2-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-2-amine
CID 104594815
4-(3,3-dimethylbutyl)-4-fluoroazepane
CID 103983980
tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol
CID 174805549
1-(3,3-dimethylbutyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64871131
2-methyl-2-pent-3-ynylazepane
CID 104806626

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3,3-dimethylbutyl)-2-methylpyrrolidine (CID 66466219) is 2-(3,3-dimethylbutyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-2-methylpyrrolidine is CC(C)(C)CCC1(C)CCCN1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-2-methylpyrrolidine?
The InChIKey is SPMIKIHDOUUPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2,3)7-8-11(4)6-5-9-12-11/h12H,5-9H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutyl)-2-methylpyrrolidine?
2-(3,3-dimethylbutyl)-2-methylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-2-methylpyrrolidine is sourced from PubChem (CID 66466219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).