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

C17H22N2 — CID 105151599

IUPAC2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
SMILESCNC(CC1CCC1)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H22N2/c1-12-10-15(14-8-3-4-9-16(14)19-12)17(18-2)11-13-6-5-7-13/h3-4,8-10,13,17-18H,5-7,11H2,1-2H3
InChIKeyVROHEMHATROZDT-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.99
Rot. Bonds4

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

2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine (PubChem CID 105151599) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
PubChem CID105151599
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
SMILESCNC(CC1CCC1)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H22N2/c1-12-10-15(14-8-3-4-9-16(14)19-12)17(18-2)11-13-6-5-7-13/h3-4,8-10,13,17-18H,5-7,11H2,1-2H3
InChIKeyVROHEMHATROZDT-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-1-(2-methylquinolin-4-yl)ethyl]hydrazine
CID 105310111
2-cyclopropyl-N-ethyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105152893
2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755199
N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
CID 105080240
2-cyclopentyl-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503517
N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine
CID 105112992
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine
CID 115863462
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652
3-cyclopropyl-1-(2-methylquinolin-4-yl)propan-1-ol
CID 105105790
1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105076264
2-cyclohexyl-N-methyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429025

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine (CID 105151599) is 2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine is CNC(CC1CCC1)c1cc(C)nc2ccccc12.
What is the InChIKey of 2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine?
The InChIKey is VROHEMHATROZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-10-15(14-8-3-4-9-16(14)19-12)17(18-2)11-13-6-5-7-13/h3-4,8-10,13,17-18H,5-7,11H2,1-2H3.
What are the key properties of 2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine?
2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-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-(2-methylquinolin-4-yl)ethanamine is sourced from PubChem (CID 105151599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).