8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine

C15H21N3O — CID 61450348

IUPAC8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
SMILESCOCC(C)N(C)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3O/c1-11(10-19-3)18(2)9-12-6-7-14(16)13-5-4-8-17-15(12)13/h4-8,11H,9-10,16H2,1-3H3
InChIKeyWZINUSCPWJHXGM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.28
Rot. Bonds5

About 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine

8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine (PubChem CID 61450348) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
PubChem CID61450348
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
SMILESCOCC(C)N(C)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C15H21N3O/c1-11(10-19-3)18(2)9-12-6-7-14(16)13-5-4-8-17-15(12)13/h4-8,11H,9-10,16H2,1-3H3
InChIKeyWZINUSCPWJHXGM-UHFFFAOYSA-N
XLogP2.28
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile
CID 55174134
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
CID 43376007
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine
CID 43375996
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
CID 107733762
8-(2-methoxyethylsulfinylmethyl)quinolin-5-amine
CID 61286603
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
8-(2-methoxyethyl)quinolin-4-amine
CID 102908049
8-(2-methoxypropoxy)quinolin-5-amine
CID 113382666

Frequently Asked Questions

What is the IUPAC name of 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine?
The IUPAC name of 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine (CID 61450348) is 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine.
What is the SMILES notation for 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine?
The canonical SMILES for 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine is COCC(C)N(C)Cc1ccc(N)c2cccnc12.
What is the InChIKey of 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine?
The InChIKey is WZINUSCPWJHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(10-19-3)18(2)9-12-6-7-14(16)13-5-4-8-17-15(12)13/h4-8,11H,9-10,16H2,1-3H3.
What are the key properties of 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine?
8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine has a molecular weight of 259.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine is sourced from PubChem (CID 61450348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).