8-[[benzyl(methyl)amino]methyl]quinolin-5-amine

C18H19N3 — CID 43375712

IUPAC8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
SMILESCN(Cc1ccccc1)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C18H19N3/c1-21(12-14-6-3-2-4-7-14)13-15-9-10-17(19)16-8-5-11-20-18(15)16/h2-11H,12-13,19H2,1H3
InChIKeyUZZDVZUJVKFYPI-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.45
Rot. Bonds4

About 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine

8-[[benzyl(methyl)amino]methyl]quinolin-5-amine (PubChem CID 43375712) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
PubChem CID43375712
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
SMILESCN(Cc1ccccc1)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C18H19N3/c1-21(12-14-6-3-2-4-7-14)13-15-9-10-17(19)16-8-5-11-20-18(15)16/h2-11H,12-13,19H2,1H3
InChIKeyUZZDVZUJVKFYPI-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine
CID 43588221
8-(phenylmethoxymethyl)quinolin-5-amine
CID 43376333
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
CID 107733762
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
CID 43376007
8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
CID 61450348
8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine
CID 43375996
3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile
CID 55174134
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771

Frequently Asked Questions

What is the IUPAC name of 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine?
The IUPAC name of 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine (CID 43375712) is 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine.
What is the SMILES notation for 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine?
The canonical SMILES for 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine is CN(Cc1ccccc1)Cc1ccc(N)c2cccnc12.
What is the InChIKey of 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine?
The InChIKey is UZZDVZUJVKFYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21(12-14-6-3-2-4-7-14)13-15-9-10-17(19)16-8-5-11-20-18(15)16/h2-11H,12-13,19H2,1H3.
What are the key properties of 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine?
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine has a molecular weight of 277.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[benzyl(methyl)amino]methyl]quinolin-5-amine is sourced from PubChem (CID 43375712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).