5-benzyl-3-pentylquinolin-2-amine

C21H24N2 — CID 122192094

IUPAC5-benzyl-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(Cc3ccccc3)cccc2nc1N
InChIInChI=1S/C21H24N2/c1-2-3-5-11-18-15-19-17(14-16-9-6-4-7-10-16)12-8-13-20(19)23-21(18)22/h4,6-10,12-13,15H,2-3,5,11,14H2,1H3,(H2,22,23)
InChIKeyNNRGQKSAVHMAKO-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.14
Rot. Bonds6

About 5-benzyl-3-pentylquinolin-2-amine

5-benzyl-3-pentylquinolin-2-amine (PubChem CID 122192094) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-benzyl-3-pentylquinolin-2-amine.

Molecular Properties

Compound Name5-benzyl-3-pentylquinolin-2-amine
PubChem CID122192094
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name5-benzyl-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(Cc3ccccc3)cccc2nc1N
InChIInChI=1S/C21H24N2/c1-2-3-5-11-18-15-19-17(14-16-9-6-4-7-10-16)12-8-13-20(19)23-21(18)22/h4,6-10,12-13,15H,2-3,5,11,14H2,1H3,(H2,22,23)
InChIKeyNNRGQKSAVHMAKO-UHFFFAOYSA-N
XLogP5.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.14
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-octylquinolin-2-amine
CID 23131231
5-[[2-(aminomethyl)phenyl]methyl]-3-pentylquinolin-2-amine;5-[3-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;4-(2-amino-3-pentylquinolin-5-yl)butanamide;3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide;5-benzyl-3-pentylquinolin-2-amine
CID 162221430
1-octadecylacridine
CID 87175858
4-(2-amino-3-pentylquinolin-5-yl)benzonitrile
CID 126622236
1-hexadecylacridine;hydrochloride
CID 172754650
4-[[4-(aminomethyl)phenyl]methyl]-3-pentylquinolin-2-amine;dihydrochloride
CID 126622257
5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157059
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
4-benzyl-3-pentyl-2H-indazole
CID 70179952
1,4-bis[(2-octylphenyl)methyl]benzene
CID 22921262
5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane
CID 163621832
4-hexyl-2-methylquinoline
CID 12861362

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-pentylquinolin-2-amine?
The IUPAC name of 5-benzyl-3-pentylquinolin-2-amine (CID 122192094) is 5-benzyl-3-pentylquinolin-2-amine.
What is the SMILES notation for 5-benzyl-3-pentylquinolin-2-amine?
The canonical SMILES for 5-benzyl-3-pentylquinolin-2-amine is CCCCCc1cc2c(Cc3ccccc3)cccc2nc1N.
What is the InChIKey of 5-benzyl-3-pentylquinolin-2-amine?
The InChIKey is NNRGQKSAVHMAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-2-3-5-11-18-15-19-17(14-16-9-6-4-7-10-16)12-8-13-20(19)23-21(18)22/h4,6-10,12-13,15H,2-3,5,11,14H2,1H3,(H2,22,23).
What are the key properties of 5-benzyl-3-pentylquinolin-2-amine?
5-benzyl-3-pentylquinolin-2-amine has a molecular weight of 304.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-pentylquinolin-2-amine is sourced from PubChem (CID 122192094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).