1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline

C17H26N2 — CID 83073868

IUPAC1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCCC1(CN2c3ccccc3CCC2C)CCCN1
InChIInChI=1S/C17H26N2/c1-3-17(11-6-12-18-17)13-19-14(2)9-10-15-7-4-5-8-16(15)19/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3
InChIKeyYRKHIDRVNSVXEB-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.36
Rot. Bonds3

About 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline

1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 83073868) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID83073868
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCCC1(CN2c3ccccc3CCC2C)CCCN1
InChIInChI=1S/C17H26N2/c1-3-17(11-6-12-18-17)13-19-14(2)9-10-15-7-4-5-8-16(15)19/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3
InChIKeyYRKHIDRVNSVXEB-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline 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-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline (CID 83073868) is 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline is CCC1(CN2c3ccccc3CCC2C)CCCN1.
What is the InChIKey of 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is YRKHIDRVNSVXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-17(11-6-12-18-17)13-19-14(2)9-10-15-7-4-5-8-16(15)19/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3.
What are the key properties of 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 258.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 83073868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).