3-(2-methylpropyl)pyrrolidine

C8H17N — CID 22975332

IUPAC3-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCNC1
InChIInChI=1S/C8H17N/c1-7(2)5-8-3-4-9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyHIYDGLLISXSAIC-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds2

About 3-(2-methylpropyl)pyrrolidine

3-(2-methylpropyl)pyrrolidine (PubChem CID 22975332) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-methylpropyl)pyrrolidine
PubChem CID22975332
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCNC1
InChIInChI=1S/C8H17N/c1-7(2)5-8-3-4-9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyHIYDGLLISXSAIC-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-(2-methylpropyl)pyrrolidine (CID 22975332) is 3-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-(2-methylpropyl)pyrrolidine is CC(C)CC1CCNC1.
What is the InChIKey of 3-(2-methylpropyl)pyrrolidine?
The InChIKey is HIYDGLLISXSAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)5-8-3-4-9-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)pyrrolidine?
3-(2-methylpropyl)pyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 22975332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).