2-methyl-4-propan-2-ylpyrrolidine

C8H17N — CID 55288086

IUPAC2-methyl-4-propan-2-ylpyrrolidine
SMILESCC1CC(C(C)C)CN1
InChIInChI=1S/C8H17N/c1-6(2)8-4-7(3)9-5-8/h6-9H,4-5H2,1-3H3
InChIKeyBAGNGDSSIAISMV-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds1

About 2-methyl-4-propan-2-ylpyrrolidine

2-methyl-4-propan-2-ylpyrrolidine (PubChem CID 55288086) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylpyrrolidine
PubChem CID55288086
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-methyl-4-propan-2-ylpyrrolidine
SMILESCC1CC(C(C)C)CN1
InChIInChI=1S/C8H17N/c1-6(2)8-4-7(3)9-5-8/h6-9H,4-5H2,1-3H3
InChIKeyBAGNGDSSIAISMV-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 2-methyl-4-propan-2-ylpyrrolidine?
The IUPAC name of 2-methyl-4-propan-2-ylpyrrolidine (CID 55288086) is 2-methyl-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-methyl-4-propan-2-ylpyrrolidine?
The canonical SMILES for 2-methyl-4-propan-2-ylpyrrolidine is CC1CC(C(C)C)CN1.
What is the InChIKey of 2-methyl-4-propan-2-ylpyrrolidine?
The InChIKey is BAGNGDSSIAISMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)8-4-7(3)9-5-8/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-ylpyrrolidine?
2-methyl-4-propan-2-ylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 55288086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).