(2S)-2-methyl-1-(2-methylpropyl)pyrrolidine

C9H19N — CID 45087897

IUPAC(2S)-2-methyl-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC[C@@H]1C
InChIInChI=1S/C9H19N/c1-8(2)7-10-6-4-5-9(10)3/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyFXJGGDBNWFDKTG-VIFPVBQESA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds2

About (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine

(2S)-2-methyl-1-(2-methylpropyl)pyrrolidine (PubChem CID 45087897) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2-methylpropyl)pyrrolidine
PubChem CID45087897
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2S)-2-methyl-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC[C@@H]1C
InChIInChI=1S/C9H19N/c1-8(2)7-10-6-4-5-9(10)3/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyFXJGGDBNWFDKTG-VIFPVBQESA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine (CID 45087897) is (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCC[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine?
The InChIKey is FXJGGDBNWFDKTG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)7-10-6-4-5-9(10)3/h8-9H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine?
(2S)-2-methyl-1-(2-methylpropyl)pyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 45087897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).