N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine

C15H20N2 — CID 82448602

IUPACN-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cc(C)nc2cc(C)cc(C)c12
InChIInChI=1S/C15H20N2/c1-5-16-9-13-8-12(4)17-14-7-10(2)6-11(3)15(13)14/h6-8,16H,5,9H2,1-4H3
InChIKeyCPCMOWGSBWVZMJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.27
Rot. Bonds3

About N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine

N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine (PubChem CID 82448602) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine
PubChem CID82448602
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cc(C)nc2cc(C)cc(C)c12
InChIInChI=1S/C15H20N2/c1-5-16-9-13-8-12(4)17-14-7-10(2)6-11(3)15(13)14/h6-8,16H,5,9H2,1-4H3
InChIKeyCPCMOWGSBWVZMJ-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benz(c)acridine
CID 9181
5-Aminoisoquinoline
CID 70766
2-Methylquinolin-6-amine
CID 103148
N-Methyl-9-acridinamine
CID 31503
7-Methylbenz(c)acridine
CID 76861
Benzo(h)quinoline
CID 9191
N,N-Dimethyl-N'-(2-naphthalen-2-YL-quinolin-4-YL)-ethane-1, 2-diamine
CID 454715
2,7-Dimethylquinoline
CID 7138
7-Methylquinoline
CID 11927
1,2-Ethanediamine, N,N-dimethyl-N'-(2-phenyl-4-quinolinyl)-
CID 453048
2-Methyl-4-(piperazin-1-yl)quinoline
CID 702318
5-Methylquinoline
CID 24312

Frequently Asked Questions

What is the IUPAC name of N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine (CID 82448602) is N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine is CCNCc1cc(C)nc2cc(C)cc(C)c12.
What is the InChIKey of N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine?
The InChIKey is CPCMOWGSBWVZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-5-16-9-13-8-12(4)17-14-7-10(2)6-11(3)15(13)14/h6-8,16H,5,9H2,1-4H3.
What are the key properties of N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine?
N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine has a molecular weight of 228.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 82448602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).