4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

C17H26N2 — CID 83219065

IUPAC4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCC(C)N1CC1CCNc2ccccc21
InChIInChI=1S/C17H26N2/c1-3-15-9-8-13(2)19(15)12-14-10-11-18-17-7-5-4-6-16(14)17/h4-7,13-15,18H,3,8-12H2,1-2H3
InChIKeyIQROWJWXJGAPKY-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.85
Rot. Bonds3

About 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 83219065) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID83219065
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCC(C)N1CC1CCNc2ccccc21
InChIInChI=1S/C17H26N2/c1-3-15-9-8-13(2)19(15)12-14-10-11-18-17-7-5-4-6-16(14)17/h4-7,13-15,18H,3,8-12H2,1-2H3
InChIKeyIQROWJWXJGAPKY-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline 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 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 83219065) is 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is CCC1CCC(C)N1CC1CCNc2ccccc21.
What is the InChIKey of 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is IQROWJWXJGAPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-15-9-8-13(2)19(15)12-14-10-11-18-17-7-5-4-6-16(14)17/h4-7,13-15,18H,3,8-12H2,1-2H3.
What are the key properties of 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 258.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 83219065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).