1,2,3,3,4-pentamethylpyrrolidine

C9H19N — CID 163647130

IUPAC1,2,3,3,4-pentamethylpyrrolidine
SMILESCC1CN(C)C(C)C1(C)C
InChIInChI=1S/C9H19N/c1-7-6-10(5)8(2)9(7,3)4/h7-8H,6H2,1-5H3
InChIKeyIJEFMNIOMJMOMJ-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds

About 1,2,3,3,4-pentamethylpyrrolidine

1,2,3,3,4-pentamethylpyrrolidine (PubChem CID 163647130) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1,2,3,3,4-pentamethylpyrrolidine.

Molecular Properties

Compound Name1,2,3,3,4-pentamethylpyrrolidine
PubChem CID163647130
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1,2,3,3,4-pentamethylpyrrolidine
SMILESCC1CN(C)C(C)C1(C)C
InChIInChI=1S/C9H19N/c1-7-6-10(5)8(2)9(7,3)4/h7-8H,6H2,1-5H3
InChIKeyIJEFMNIOMJMOMJ-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4-pentamethylpyrrolidine?
The IUPAC name of 1,2,3,3,4-pentamethylpyrrolidine (CID 163647130) is 1,2,3,3,4-pentamethylpyrrolidine.
What is the SMILES notation for 1,2,3,3,4-pentamethylpyrrolidine?
The canonical SMILES for 1,2,3,3,4-pentamethylpyrrolidine is CC1CN(C)C(C)C1(C)C.
What is the InChIKey of 1,2,3,3,4-pentamethylpyrrolidine?
The InChIKey is IJEFMNIOMJMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7-6-10(5)8(2)9(7,3)4/h7-8H,6H2,1-5H3.
What are the key properties of 1,2,3,3,4-pentamethylpyrrolidine?
1,2,3,3,4-pentamethylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4-pentamethylpyrrolidine is sourced from PubChem (CID 163647130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).