1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine

C18H25N3 — CID 105379565

IUPAC1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H25N3/c1-4-21-10-9-16(12-19-3)18(21)15-7-8-17-14(11-15)6-5-13(2)20-17/h5-8,11,16,18-19H,4,9-10,12H2,1-3H3
InChIKeyQXUQLTJOTUTDIJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.15
Rot. Bonds4

About 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 105379565) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID105379565
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H25N3/c1-4-21-10-9-16(12-19-3)18(21)15-7-8-17-14(11-15)6-5-13(2)20-17/h5-8,11,16,18-19H,4,9-10,12H2,1-3H3
InChIKeyQXUQLTJOTUTDIJ-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(2-methylquinolin-6-yl)cyclobutyl]methanamine
CID 81222844
1-[1-ethyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 104823700
1-[2-(3-bromo-4-methylphenyl)-1-ethylazepan-3-yl]-N-methylmethanamine
CID 105411489
1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454757
1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 113329210
1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 65021313
N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine
CID 105379792
1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114866587
1-[2-(4-bromo-5-methylthiophen-2-yl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 102844581
2-(2-methylquinolin-6-yl)cyclobutan-1-amine
CID 81221612
1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454759
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 105379565) is 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine is CCN1CCC(CNC)C1c1ccc2nc(C)ccc2c1.
What is the InChIKey of 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is QXUQLTJOTUTDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-21-10-9-16(12-19-3)18(21)15-7-8-17-14(11-15)6-5-13(2)20-17/h5-8,11,16,18-19H,4,9-10,12H2,1-3H3.
What are the key properties of 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 105379565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).