1-(2-methylbutyl)pyrrolidine

C9H19N — CID 15180078

IUPAC1-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CN1CCCC1
InChIInChI=1S/C9H19N/c1-3-9(2)8-10-6-4-5-7-10/h9H,3-8H2,1-2H3
InChIKeyGBAJVBMOIARZCQ-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-methylbutyl)pyrrolidine

1-(2-methylbutyl)pyrrolidine (PubChem CID 15180078) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-(2-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylbutyl)pyrrolidine
PubChem CID15180078
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CN1CCCC1
InChIInChI=1S/C9H19N/c1-3-9(2)8-10-6-4-5-7-10/h9H,3-8H2,1-2H3
InChIKeyGBAJVBMOIARZCQ-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)pyrrolidine?
The IUPAC name of 1-(2-methylbutyl)pyrrolidine (CID 15180078) is 1-(2-methylbutyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylbutyl)pyrrolidine?
The canonical SMILES for 1-(2-methylbutyl)pyrrolidine is CCC(C)CN1CCCC1.
What is the InChIKey of 1-(2-methylbutyl)pyrrolidine?
The InChIKey is GBAJVBMOIARZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-9(2)8-10-6-4-5-7-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)pyrrolidine?
1-(2-methylbutyl)pyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)pyrrolidine is sourced from PubChem (CID 15180078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).