1-ethyl-2,4,4-trimethylpyrrolidine

C9H19N — CID 11083986

IUPAC1-ethyl-2,4,4-trimethylpyrrolidine
SMILESCCN1CC(C)(C)CC1C
InChIInChI=1S/C9H19N/c1-5-10-7-9(3,4)6-8(10)2/h8H,5-7H2,1-4H3
InChIKeySQVFNRRBCVRHCT-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds1

About 1-ethyl-2,4,4-trimethylpyrrolidine

1-ethyl-2,4,4-trimethylpyrrolidine (PubChem CID 11083986) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-ethyl-2,4,4-trimethylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-2,4,4-trimethylpyrrolidine
PubChem CID11083986
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-ethyl-2,4,4-trimethylpyrrolidine
SMILESCCN1CC(C)(C)CC1C
InChIInChI=1S/C9H19N/c1-5-10-7-9(3,4)6-8(10)2/h8H,5-7H2,1-4H3
InChIKeySQVFNRRBCVRHCT-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 1-ethyl-2,4,4-trimethylpyrrolidine 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 1-ethyl-2,4,4-trimethylpyrrolidine?
The IUPAC name of 1-ethyl-2,4,4-trimethylpyrrolidine (CID 11083986) is 1-ethyl-2,4,4-trimethylpyrrolidine.
What is the SMILES notation for 1-ethyl-2,4,4-trimethylpyrrolidine?
The canonical SMILES for 1-ethyl-2,4,4-trimethylpyrrolidine is CCN1CC(C)(C)CC1C.
What is the InChIKey of 1-ethyl-2,4,4-trimethylpyrrolidine?
The InChIKey is SQVFNRRBCVRHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-10-7-9(3,4)6-8(10)2/h8H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-2,4,4-trimethylpyrrolidine?
1-ethyl-2,4,4-trimethylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,4-trimethylpyrrolidine is sourced from PubChem (CID 11083986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).