3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine

C18H26N2 — CID 105378521

IUPAC3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H26N2/c1-5-18(6-2,7-3)19-13-15-9-11-17-16(12-15)10-8-14(4)20-17/h8-12,19H,5-7,13H2,1-4H3
InChIKeyIEDNECDNOCYOHI-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.60
Rot. Bonds6

About 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine

3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine (PubChem CID 105378521) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
PubChem CID105378521
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H26N2/c1-5-18(6-2,7-3)19-13-15-9-11-17-16(12-15)10-8-14(4)20-17/h8-12,19H,5-7,13H2,1-4H3
InChIKeyIEDNECDNOCYOHI-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-methoxy-2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-2-amine
CID 105378674
3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol
CID 105378717
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
2-methyl-N-[2-(2-methylquinolin-6-yl)ethyl]propan-2-amine
CID 81224077
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393
(2-methylquinolin-6-yl)methanethiol
CID 105379811
3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 106008790
trimethyl-[(2-methylquinolin-6-yl)methyl]silane
CID 134953516
2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378704

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine (CID 105378521) is 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1ccc2nc(C)ccc2c1.
What is the InChIKey of 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine?
The InChIKey is IEDNECDNOCYOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-5-18(6-2,7-3)19-13-15-9-11-17-16(12-15)10-8-14(4)20-17/h8-12,19H,5-7,13H2,1-4H3.
What are the key properties of 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine?
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine has a molecular weight of 270.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine is sourced from PubChem (CID 105378521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).