3-octylquinolin-2-amine

C17H24N2 — CID 23131231

IUPAC3-octylquinolin-2-amine
SMILESCCCCCCCCc1cc2ccccc2nc1N
InChIInChI=1S/C17H24N2/c1-2-3-4-5-6-7-11-15-13-14-10-8-9-12-16(14)19-17(15)18/h8-10,12-13H,2-7,11H2,1H3,(H2,18,19)
InChIKeyZLCCITMSRGVZQC-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.72
Rot. Bonds7

About 3-octylquinolin-2-amine

3-octylquinolin-2-amine (PubChem CID 23131231) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-octylquinolin-2-amine.

Molecular Properties

Compound Name3-octylquinolin-2-amine
PubChem CID23131231
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-octylquinolin-2-amine
SMILESCCCCCCCCc1cc2ccccc2nc1N
InChIInChI=1S/C17H24N2/c1-2-3-4-5-6-7-11-15-13-14-10-8-9-12-16(14)19-17(15)18/h8-10,12-13H,2-7,11H2,1H3,(H2,18,19)
InChIKeyZLCCITMSRGVZQC-UHFFFAOYSA-N
XLogP4.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(heptoxymethyl)quinolin-2-amine
CID 62194119
2-fluoro-3-pentylquinoline
CID 67913215
5-benzyl-3-pentylquinolin-2-amine
CID 122192094
acridine;heptane
CID 158562494
1-octadecylacridine
CID 87175858
1-hexadecylacridine;hydrochloride
CID 172754650
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
3-pentylquinoline-2-sulfonic acid
CID 175263844
3-hexylacridine
CID 21394642
2-(8-hexoxyoctyl)quinolin-3-amine
CID 175093877
3-(3-imidazol-1-ylpropyl)quinolin-2-amine
CID 67942243

Frequently Asked Questions

What is the IUPAC name of 3-octylquinolin-2-amine?
The IUPAC name of 3-octylquinolin-2-amine (CID 23131231) is 3-octylquinolin-2-amine.
What is the SMILES notation for 3-octylquinolin-2-amine?
The canonical SMILES for 3-octylquinolin-2-amine is CCCCCCCCc1cc2ccccc2nc1N.
What is the InChIKey of 3-octylquinolin-2-amine?
The InChIKey is ZLCCITMSRGVZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-3-4-5-6-7-11-15-13-14-10-8-9-12-16(14)19-17(15)18/h8-10,12-13H,2-7,11H2,1H3,(H2,18,19).
What are the key properties of 3-octylquinolin-2-amine?
3-octylquinolin-2-amine has a molecular weight of 256.39 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octylquinolin-2-amine is sourced from PubChem (CID 23131231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).