2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine

C17H22N2 — CID 114755199

IUPAC2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine
SMILESCNC(CC1CCC1)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H22N2/c1-12-10-17(16(18-2)11-13-6-5-7-13)19-15-9-4-3-8-14(12)15/h3-4,8-10,13,16,18H,5-7,11H2,1-2H3
InChIKeyDEZJEZXKJXHMGN-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.99
Rot. Bonds4

About 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine

2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine (PubChem CID 114755199) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine
PubChem CID114755199
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine
SMILESCNC(CC1CCC1)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H22N2/c1-12-10-17(16(18-2)11-13-6-5-7-13)19-15-9-4-3-8-14(12)15/h3-4,8-10,13,16,18H,5-7,11H2,1-2H3
InChIKeyDEZJEZXKJXHMGN-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105151599
N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 114755171
[cyclohexyl-(4-methylquinolin-2-yl)methyl]hydrazine
CID 105279673
[2-cyclobutyl-1-(2-methylquinolin-4-yl)ethyl]hydrazine
CID 105310111
4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
CID 114857319
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine
CID 114755156
2-cyclohexyl-N-methyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429025
N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107136962
(4-methylquinolin-2-yl)-(oxan-3-yl)methanol
CID 107136237
(2-ethylcyclohexyl)-(4-methylquinolin-2-yl)methanamine
CID 114755094
[4-methyl-1-(4-methylquinolin-2-yl)pent-4-enyl]hydrazine
CID 105279669
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine (CID 114755199) is 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine is CNC(CC1CCC1)c1cc(C)c2ccccc2n1.
What is the InChIKey of 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine?
The InChIKey is DEZJEZXKJXHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-10-17(16(18-2)11-13-6-5-7-13)19-15-9-4-3-8-14(12)15/h3-4,8-10,13,16,18H,5-7,11H2,1-2H3.
What are the key properties of 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine?
2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine is sourced from PubChem (CID 114755199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).