3-(3,3-dimethylbutyl)pyrrolidine

C10H21N — CID 59148051

IUPAC3-(3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CCC1CCNC1
InChIInChI=1S/C10H21N/c1-10(2,3)6-4-9-5-7-11-8-9/h9,11H,4-8H2,1-3H3
InChIKeyYJSDWAOTDLOQOX-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.42
Rot. Bonds2

About 3-(3,3-dimethylbutyl)pyrrolidine

3-(3,3-dimethylbutyl)pyrrolidine (PubChem CID 59148051) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)pyrrolidine
PubChem CID59148051
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3-(3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CCC1CCNC1
InChIInChI=1S/C10H21N/c1-10(2,3)6-4-9-5-7-11-8-9/h9,11H,4-8H2,1-3H3
InChIKeyYJSDWAOTDLOQOX-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)pyrrolidine?
The IUPAC name of 3-(3,3-dimethylbutyl)pyrrolidine (CID 59148051) is 3-(3,3-dimethylbutyl)pyrrolidine.
What is the SMILES notation for 3-(3,3-dimethylbutyl)pyrrolidine?
The canonical SMILES for 3-(3,3-dimethylbutyl)pyrrolidine is CC(C)(C)CCC1CCNC1.
What is the InChIKey of 3-(3,3-dimethylbutyl)pyrrolidine?
The InChIKey is YJSDWAOTDLOQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-10(2,3)6-4-9-5-7-11-8-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbutyl)pyrrolidine?
3-(3,3-dimethylbutyl)pyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)pyrrolidine is sourced from PubChem (CID 59148051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).